P36163 y-mtPTM: Yeast Mitochondrial PTM Database

Basic Information

Name	Mitochondrial metalloendopeptidase OMA1 (EC 3.4.24.-)
Uniprot ID	P36163
Systematic gene name	YKR087C
Standard gene name	OMA1
Gene names	OMA1 YKR087C YKR407
Description from SGD	YKR087C OMA1 SGDID:S000001795, Chr XI from 604232-603195, Genome Release 64-3-1, reverse complement, Verified ORF, "Metalloendopeptidase of the mitochondrial inner membrane; important for adaptive responses to various homeostatic insults, preservation of normal mitochondrial function under damage-eliciting conditions, and stability of respiratory supercomplexes; involved in turnover of membrane-embedded proteins; mediates degradation of Cox1p in coa2 mutant cells; zebrafish ortholog has a role in organ development and mouse ortholog is also required for respiratory supercomplex stability"
Protein length	345
Download	sequence (fasta, from Uniprot), modifications (csv format)
Database links	Uniprot, SGD, TheCellVision.org, FungiDB

Sequence

MLRNIIRFKG FGKGTSGGFL KPVSFRVQLT RCYRYDNGPS YRRFNNGEYS
QKSSFKSILL DKSSRKYLAL LFGGCSLFYY THLDKAPVSD RSRFIWVSRP
LELTIGNYTY KSIWRQTQQE ILPPQHPLSI KIENIFMKIV EAAYKDPSVD
NSLLDGIKWE IHVVNDPTAS PNAFVLPGGK VFIFSSILPI CANDDGIATV
LAHEFAHQLA RHTAENLSKA PIYSLLGLVL YTVTGAHAIN NILLDGFLRM
PASRQMETEA DYIGLMIMSR ACFQPQESIK VWERMANFEK QMNRGGVVNM
EFLSTHPAST RRIENMSKWL PKANEIYEQS DCSSMGNYYK SFFSM

Structure

Structure visualized

Loading structure by GLmol written by biochem_fan. The structure was downloaded from the AlphaFold Protein Structure Database. id="glmol01_src" style="display: none;"> -26.395 36.804 -41.442 1.00 39.32 N -27.172 36.356 -40.269 1.00 39.32 C -26.204 36.099 -39.119 1.00 39.32 C -25.338 35.260 -39.300 1.00 39.32 O -27.981 35.095 -40.616 1.00 39.32 C -29.340 35.435 -41.233 1.00 39.32 C -30.184 33.980 -41.893 1.00 39.32 S -31.690 34.743 -42.555 1.00 39.32 C -26.349 36.867 -38.017 1.00 43.66 N -25.696 36.757 -36.683 1.00 43.66 C -24.176 37.053 -36.665 1.00 43.66 C -23.389 36.164 -36.939 1.00 43.66 O -26.035 35.357 -36.111 1.00 43.66 C -27.542 35.024 -36.045 1.00 43.66 C -27.784 33.522 -35.955 1.00 43.66 C -28.198 35.717 -34.855 1.00 43.66 C -23.608 38.261 -36.474 1.00 36.26 N -23.862 39.488 -35.672 1.00 36.26 C -23.872 39.316 -34.138 1.00 36.26 C -24.861 38.846 -33.594 1.00 36.26 O -25.004 40.406 -36.183 1.00 36.26 C -24.480 41.628 -36.975 1.00 36.26 C -25.553 42.709 -37.207 1.00 36.26 C -25.046 43.816 -38.051 1.00 36.26 N -25.611 44.998 -38.263 1.00 36.26 C -26.719 45.360 -37.677 1.00 36.26 N1+ -25.066 45.853 -39.084 1.00 36.26 N -22.849 39.940 -33.524 1.00 39.64 N -22.807 40.595 -32.199 1.00 39.64 C -22.734 39.650 -30.971 1.00 39.64 C -23.252 38.552 -31.022 1.00 39.64 O -23.940 41.634 -32.174 1.00 39.64 C -23.904 42.655 -33.294 1.00 39.64 C -25.023 43.273 -33.590 1.00 39.64 N -22.887 42.941 -33.901 1.00 39.64 O -22.072 39.947 -29.844 1.00 42.01 N -21.994 41.179 -29.038 1.00 42.01 C -20.686 41.189 -28.203 1.00 42.01 C -20.221 40.161 -27.721 1.00 42.01 O -23.247 41.223 -28.095 1.00 42.01 C -24.425 42.072 -28.638 1.00 42.01 C -22.994 41.769 -26.678 1.00 42.01 C -25.585 41.268 -29.226 1.00 42.01 C -20.149 42.395 -27.995 1.00 39.96 N -19.054 42.789 -27.090 1.00 39.96 C -19.602 43.037 -25.671 1.00 39.96 C -20.670 43.633 -25.565 1.00 39.96 O -18.478 44.134 -27.624 1.00 39.96 C -17.917 44.032 -29.063 1.00 39.96 C -17.383 44.726 -26.717 1.00 39.96 C -17.800 45.400 -29.753 1.00 39.96 C -18.816 42.748 -24.617 1.00 33.08 N -18.536 43.594 -23.414 1.00 33.08 C -18.346 42.734 -22.163 1.00 33.08 C -19.140 41.839 -21.945 1.00 33.08 O -19.631 44.645 -23.073 1.00 33.08 C -19.452 45.988 -23.804 1.00 33.08 C -20.479 47.030 -23.342 1.00 33.08 C -20.147 48.379 -23.849 1.00 33.08 N -20.878 49.475 -23.714 1.00 33.08 C -22.050 49.462 -23.143 1.00 33.08 N1+ -20.439 50.622 -24.156 1.00 33.08 N -17.395 43.104 -21.297 1.00 38.00 N -17.701 43.657 -19.965 1.00 38.00 C -16.462 44.264 -19.261 1.00 38.00 C -15.403 43.656 -19.244 1.00 38.00 O -18.408 42.635 -19.044 1.00 38.00 C -19.931 42.738 -19.075 1.00 38.00 C -20.569 43.885 -18.569 1.00 38.00 C -20.721 41.717 -19.632 1.00 38.00 C -21.967 44.027 -18.636 1.00 38.00 C -22.113 41.872 -19.745 1.00 38.00 C -22.739 43.022 -19.241 1.00 38.00 C -16.685 45.476 -18.704 1.00 40.78 N -16.214 46.094 -17.431 1.00 40.78 C -14.732 45.934 -17.028 1.00 40.78 C -14.255 44.829 -16.869 1.00 40.78 O -17.125 45.565 -16.307 1.00 40.78 C -18.531 46.191 -16.312 1.00 40.78 C -19.501 45.358 -15.455 1.00 40.78 C -20.913 45.963 -15.429 1.00 40.78 C -21.841 45.150 -14.599 1.00 40.78 N1+ -13.945 46.976 -16.745 1.00 37.10 N -14.265 48.279 -16.153 1.00 37.10 C -14.173 48.223 -14.623 1.00 37.10 C -15.176 47.938 -13.978 1.00 37.10 O -12.996 48.517 -14.059 1.00 40.50 N -12.822 48.879 -12.647 1.00 40.50 C -11.820 50.031 -12.544 1.00 40.50 C -10.661 49.895 -12.928 1.00 40.50 O -12.397 47.677 -11.783 1.00 40.50 C -13.480 47.242 -10.814 1.00 40.50 C -13.597 47.858 -9.552 1.00 40.50 C -14.398 46.245 -11.191 1.00 40.50 C -14.623 47.470 -8.670 1.00 40.50 C -15.421 45.856 -10.308 1.00 40.50 C -15.533 46.467 -9.047 1.00 40.50 C -12.301 51.171 -12.051 1.00 37.34 N -11.501 52.330 -11.687 1.00 37.34 C -11.571 52.581 -10.181 1.00 37.34 C -12.622 52.399 -9.571 1.00 37.34 O -10.443 53.020 -9.623 1.00 42.35 N -10.257 53.872 -8.433 1.00 42.35 C -8.954 54.637 -8.745 1.00 42.35 C -7.968 53.987 -9.066 1.00 42.35 O -10.132 53.017 -7.148 1.00 42.35 C -11.448 52.350 -6.693 1.00 42.35 C -11.329 51.723 -5.295 1.00 42.35 C -12.676 51.141 -4.841 1.00 42.35 C -12.584 50.528 -3.490 1.00 42.35 N1+ -8.933 55.956 -8.981 1.00 39.25 N -9.018 57.030 -7.975 1.00 39.25 C -7.866 56.870 -6.972 1.00 39.25 C -7.830 55.842 -6.316 1.00 39.25 O -6.877 57.744 -6.785 1.00 41.27 N -6.739 59.202 -6.947 1.00 41.27 C -5.264 59.558 -6.693 1.00 41.27 C -4.713 59.021 -5.737 1.00 41.27 O -7.497 59.922 -5.807 1.00 41.27 C -9.004 60.004 -6.032 1.00 41.27 C -7.319 59.244 -4.581 1.00 41.27 O -4.647 60.462 -7.463 1.00 43.86 N -3.703 61.526 -7.021 1.00 43.86 C -2.861 62.043 -8.198 1.00 43.86 C -2.505 61.302 -9.109 1.00 43.86 O -2.795 61.197 -5.821 1.00 43.86 C -2.254 59.905 -5.883 1.00 43.86 O -2.683 63.365 -8.229 1.00 39.41 N -2.292 64.144 -9.399 1.00 39.41 C -0.837 63.999 -9.841 1.00 39.41 C 0.055 63.693 -9.059 1.00 39.41 O -0.614 64.280 -11.123 1.00 38.80 N 0.712 64.278 -11.733 1.00 38.80 C 0.635 64.342 -13.255 1.00 38.80 C 0.674 63.321 -13.925 1.00 38.80 O 0.459 65.560 -13.768 1.00 35.91 N 0.775 66.044 -15.119 1.00 35.91 C 1.486 65.055 -16.072 1.00 35.91 C 2.702 64.950 -16.014 1.00 35.91 O 1.675 67.291 -14.896 1.00 35.91 C 1.067 68.607 -15.300 1.00 35.91 C 1.447 69.202 -16.517 1.00 35.91 C 0.184 69.273 -14.433 1.00 35.91 C 0.945 70.467 -16.866 1.00 35.91 C -0.320 70.536 -14.784 1.00 35.91 C 0.063 71.133 -15.998 1.00 35.91 C 0.781 64.447 -17.037 1.00 40.71 N 1.370 64.013 -18.318 1.00 40.71 C 0.327 64.090 -19.451 1.00 40.71 C -0.790 63.588 -19.343 1.00 40.71 O 2.034 62.617 -18.227 1.00 40.71 C 3.432 62.550 -17.560 1.00 40.71 C 3.967 61.124 -17.598 1.00 40.71 C 4.473 63.451 -18.244 1.00 40.71 C 0.706 64.798 -20.522 1.00 46.04 N -0.103 65.183 -21.692 1.00 46.04 C -0.573 63.971 -22.522 1.00 46.04 C 0.175 63.001 -22.634 1.00 46.04 O 0.755 66.091 -22.595 1.00 46.04 C 1.085 67.466 -21.989 1.00 46.04 C 2.030 68.247 -22.917 1.00 46.04 C 2.268 69.668 -22.388 1.00 46.04 C 3.219 70.427 -23.243 1.00 46.04 N1+ -1.734 64.046 -23.203 1.00 44.69 N -2.143 63.023 -24.158 1.00 44.69 C -1.287 63.120 -25.428 1.00 44.69 C -1.256 64.151 -26.099 1.00 44.69 O -3.630 63.281 -24.418 1.00 44.69 C -3.771 64.791 -24.222 1.00 44.69 C -2.709 65.129 -23.172 1.00 44.69 C -0.588 62.037 -25.768 1.00 43.27 N 0.123 61.908 -27.044 1.00 43.27 C -0.906 61.616 -28.136 1.00 43.27 C -1.434 60.510 -28.232 1.00 43.27 O 1.222 60.827 -26.974 1.00 43.27 C 2.000 60.752 -28.292 1.00 43.27 C 2.235 61.133 -25.861 1.00 43.27 C -1.208 62.617 -28.965 1.00 41.64 N -1.971 62.434 -30.198 1.00 41.64 C -1.054 61.866 -31.285 1.00 41.64 C -0.223 62.592 -31.833 1.00 41.64 O -2.609 63.759 -30.649 1.00 41.64 C -1.631 64.712 -31.021 1.00 41.64 O -1.204 60.590 -31.636 1.00 35.86 N -0.591 60.063 -32.855 1.00 35.86 C -1.488 60.375 -34.056 1.00 35.86 C -2.548 59.783 -34.249 1.00 35.86 O -0.228 58.581 -32.713 1.00 35.86 C 1.193 58.390 -32.214 1.00 35.86 C 2.263 58.396 -33.132 1.00 35.86 C 1.456 58.245 -30.840 1.00 35.86 C 3.586 58.254 -32.678 1.00 35.86 C 2.780 58.094 -30.389 1.00 35.86 C 3.845 58.104 -31.306 1.00 35.86 C -1.048 61.349 -34.856 1.00 39.85 N -1.616 61.706 -36.157 1.00 39.85 C -0.943 60.819 -37.205 1.00 39.85 C 0.206 61.057 -37.561 1.00 39.85 O -1.382 63.216 -36.383 1.00 39.85 C -2.382 63.874 -37.344 1.00 39.85 C -2.019 65.359 -37.530 1.00 39.85 C -3.189 66.186 -37.890 1.00 39.85 N -3.165 67.420 -38.370 1.00 39.85 C -2.052 68.019 -38.695 1.00 39.85 N1+ -4.273 68.088 -38.531 1.00 39.85 N -1.630 59.780 -37.674 1.00 39.32 N -1.138 58.963 -38.793 1.00 39.32 C -1.379 59.744 -40.087 1.00 39.32 C -2.523 60.007 -40.456 1.00 39.32 O -1.781 57.561 -38.808 1.00 39.32 C -1.239 56.707 -39.960 1.00 39.32 C -1.488 56.816 -37.496 1.00 39.32 C -0.298 60.168 -40.745 1.00 38.62 N -0.338 60.744 -42.088 1.00 38.62 C -0.812 59.685 -43.089 1.00 38.62 C -0.195 58.634 -43.243 1.00 38.62 O 1.051 61.273 -42.496 1.00 38.62 C 1.274 62.747 -42.124 1.00 38.62 C 2.682 63.226 -42.481 1.00 38.62 C 2.856 64.456 -42.915 1.00 38.62 N 3.661 62.513 -42.364 1.00 38.62 O -1.906 59.987 -43.785 1.00 35.52 N -2.327 59.277 -44.986 1.00 35.52 C -1.499 59.802 -46.162 1.00 35.52 C -1.701 60.935 -46.598 1.00 35.52 O -3.832 59.526 -45.215 1.00 35.52 C -4.756 58.753 -44.258 1.00 35.52 C -6.149 59.382 -44.257 1.00 35.52 C -4.892 57.290 -44.686 1.00 35.52 C -0.603 58.981 -46.706 1.00 39.75 N 0.086 59.294 -47.963 1.00 39.75 C -0.025 58.133 -48.947 1.00 39.75 C 0.472 57.040 -48.707 1.00 39.75 O 1.551 59.759 -47.793 1.00 39.75 C 1.750 61.137 -48.431 1.00 39.75 C 1.928 59.897 -46.444 1.00 39.75 O -0.649 58.466 -50.086 1.00 40.07 N -0.736 57.769 -51.382 1.00 40.07 C -1.553 56.476 -51.463 1.00 40.07 C -1.069 55.370 -51.267 1.00 40.07 O 0.653 57.642 -52.028 1.00 40.07 C 1.055 58.980 -52.659 1.00 40.07 C 2.424 58.893 -53.329 1.00 40.07 C 2.740 60.150 -54.032 1.00 40.07 N 3.885 60.451 -54.619 1.00 40.07 C 4.907 59.640 -54.599 1.00 40.07 N1+ 4.025 61.584 -55.246 1.00 40.07 N -2.783 56.656 -51.946 1.00 36.63 N -3.538 55.633 -52.659 1.00 36.63 C -2.858 55.327 -54.003 1.00 36.63 C -2.734 56.219 -54.841 1.00 36.63 O -4.960 56.162 -52.915 1.00 36.63 C -5.871 56.391 -51.362 1.00 36.63 S -2.482 54.070 -54.226 1.00 44.20 N -2.344 53.509 -55.567 1.00 44.20 C -3.607 52.695 -55.862 1.00 44.20 C -3.896 51.714 -55.180 1.00 44.20 O -1.056 52.679 -55.694 1.00 44.20 C 0.126 53.478 -56.213 1.00 44.20 C 0.331 53.587 -57.603 1.00 44.20 C 1.012 54.113 -55.321 1.00 44.20 C 1.420 54.326 -58.102 1.00 44.20 C 2.112 54.842 -55.817 1.00 44.20 C 2.316 54.948 -57.211 1.00 44.20 C 3.378 55.640 -57.700 1.00 44.20 O -4.376 53.132 -56.865 1.00 39.89 N -5.389 52.308 -57.534 1.00 39.89 C -4.642 51.293 -58.394 1.00 39.89 C -3.906 51.698 -59.287 1.00 39.89 O -6.295 53.175 -58.440 1.00 39.89 C -7.698 53.433 -57.880 1.00 39.89 C -8.505 54.255 -58.896 1.00 39.89 C -9.846 54.605 -58.386 1.00 39.89 N -10.658 55.518 -58.895 1.00 39.89 C -10.338 56.223 -59.945 1.00 39.89 N1+ -11.823 55.740 -58.353 1.00 39.89 N -4.854 50.009 -58.142 1.00 43.30 N -4.679 48.980 -59.158 1.00 43.30 C -5.919 48.092 -59.132 1.00 43.30 C -6.271 47.523 -58.098 1.00 43.30 O -3.357 48.213 -58.999 1.00 43.30 C -2.461 48.370 -60.214 1.00 43.30 C -2.544 47.452 -61.279 1.00 43.30 C -1.594 49.476 -60.308 1.00 43.30 C -1.744 47.627 -62.425 1.00 43.30 C -0.793 49.656 -61.454 1.00 43.30 C -0.867 48.728 -62.515 1.00 43.30 C -0.102 48.893 -63.625 1.00 43.30 O -6.605 48.079 -60.269 1.00 46.79 N -7.822 47.339 -60.553 1.00 46.79 C -7.599 45.839 -60.373 1.00 46.79 C -6.908 45.212 -61.166 1.00 46.79 O -8.235 47.632 -62.006 1.00 46.79 C -8.761 49.054 -62.174 1.00 46.79 C -9.728 49.387 -61.452 1.00 46.79 O -8.158 49.814 -62.961 1.00 46.79 O1- -8.171 45.274 -59.311 1.00 52.06 N -8.599 43.881 -59.215 1.00 52.06 C -9.503 43.774 -57.981 1.00 52.06 C -9.061 44.000 -56.854 1.00 52.06 O -7.389 42.925 -59.148 1.00 52.06 C -6.933 42.480 -60.532 1.00 52.06 C -5.650 42.313 -60.751 1.00 52.06 N -7.728 42.230 -61.422 1.00 52.06 O -10.792 43.496 -58.201 1.00 49.09 N -11.800 43.400 -57.141 1.00 49.09 C -11.435 42.379 -56.050 1.00 49.09 C -10.572 41.522 -56.264 1.00 49.09 O -12.082 42.440 -54.870 1.00 50.41 N -11.782 41.544 -53.761 1.00 50.41 C -12.175 40.109 -54.132 1.00 50.41 C -13.316 39.685 -53.961 1.00 50.41 O -12.553 42.108 -52.560 1.00 50.41 C -13.746 42.815 -53.203 1.00 50.41 C -13.182 43.329 -54.528 1.00 50.41 C -11.215 39.347 -54.653 1.00 45.59 N -11.345 37.904 -54.796 1.00 45.59 C -11.143 37.273 -53.422 1.00 45.59 C -10.099 37.409 -52.781 1.00 45.59 O -10.414 37.327 -55.871 1.00 45.59 C -9.064 37.709 -55.690 1.00 45.59 O -12.183 36.591 -52.949 1.00 43.53 N -12.120 35.733 -51.776 1.00 43.53 C -11.093 34.631 -52.074 1.00 43.53 C -11.390 33.672 -52.788 1.00 43.53 O -13.537 35.186 -51.489 1.00 43.53 C -13.945 35.173 -50.030 1.00 43.53 C -13.772 34.017 -49.244 1.00 43.53 C -14.556 36.315 -49.477 1.00 43.53 C -14.223 34.002 -47.908 1.00 43.53 C -15.006 36.305 -48.144 1.00 43.53 C -14.845 35.143 -47.359 1.00 43.53 C -15.290 35.119 -46.076 1.00 43.53 O -9.860 34.764 -51.570 1.00 45.75 N -8.895 33.660 -51.582 1.00 45.75 C -9.388 32.611 -50.587 1.00 45.75 C -9.008 32.622 -49.420 1.00 45.75 O -7.454 34.132 -51.297 1.00 45.75 C -6.812 34.869 -52.486 1.00 45.75 C -5.308 35.073 -52.241 1.00 45.75 C -4.657 35.810 -53.343 1.00 45.75 N -3.379 36.150 -53.416 1.00 45.75 C -2.522 35.830 -52.484 1.00 45.75 N1+ -2.930 36.825 -54.437 1.00 45.75 N -10.256 31.703 -51.056 1.00 47.68 N -10.362 30.355 -50.478 1.00 47.68 C -8.936 29.842 -50.335 1.00 47.68 C -8.177 29.979 -51.292 1.00 47.68 O -11.153 29.402 -51.399 1.00 47.68 C -12.617 29.240 -50.976 1.00 47.68 C -13.320 28.211 -51.873 1.00 47.68 C -14.715 27.979 -51.448 1.00 47.68 N -15.595 27.192 -52.047 1.00 47.68 C -15.304 26.520 -53.126 1.00 47.68 N1+ -16.800 27.064 -51.566 1.00 47.68 N -8.603 29.320 -49.154 1.00 43.21 N -7.357 28.613 -48.869 1.00 43.21 C -6.953 27.809 -50.099 1.00 43.21 C -7.588 26.813 -50.444 1.00 43.21 O -7.563 27.706 -47.650 1.00 43.21 C -7.569 28.467 -46.341 1.00 43.21 C -6.360 28.648 -45.644 1.00 43.21 C -8.762 29.009 -45.825 1.00 43.21 C -6.341 29.366 -44.437 1.00 43.21 C -8.741 29.734 -44.619 1.00 43.21 C -7.531 29.911 -43.925 1.00 43.21 C -5.991 28.364 -50.832 1.00 42.16 N -5.584 27.828 -52.107 1.00 42.16 C -4.927 26.492 -51.785 1.00 42.16 C -4.032 26.440 -50.940 1.00 42.16 O -4.661 28.837 -52.830 1.00 42.16 C -4.992 29.044 -54.300 1.00 42.16 C -4.217 29.846 -54.992 1.00 42.16 N -5.948 28.525 -54.846 1.00 42.16 O -5.407 25.444 -52.450 1.00 37.42 N -4.833 24.106 -52.513 1.00 37.42 C -3.425 24.158 -53.146 1.00 37.42 C -3.204 23.638 -54.234 1.00 37.42 O -5.797 23.215 -53.330 1.00 37.42 C -6.995 22.689 -52.566 1.00 37.42 C -8.046 22.317 -53.260 1.00 37.42 N -6.997 22.550 -51.358 1.00 37.42 O -2.482 24.828 -52.483 1.00 33.58 N -1.054 24.777 -52.759 1.00 33.58 C -0.423 23.755 -51.824 1.00 33.58 C -0.339 23.997 -50.625 1.00 33.58 O -0.065 22.597 -52.378 1.00 35.39 N 0.832 21.586 -51.795 1.00 35.39 C 0.691 21.321 -50.285 1.00 35.39 C 1.652 21.346 -49.519 1.00 35.39 O 2.281 21.864 -52.213 1.00 35.39 C 2.499 21.550 -53.696 1.00 35.39 C 3.970 21.719 -54.090 1.00 35.39 C 4.461 20.851 -54.843 1.00 35.39 O 4.575 22.716 -53.640 1.00 35.39 O1- -0.504 20.928 -49.849 1.00 32.52 N -0.662 20.214 -48.579 1.00 32.52 C -0.266 18.737 -48.762 1.00 32.52 C -1.092 17.835 -48.692 1.00 32.52 O -2.065 20.454 -47.990 1.00 32.52 C -2.025 21.075 -46.609 1.00 32.52 C -2.022 20.264 -45.457 1.00 32.52 C -1.982 22.476 -46.485 1.00 32.52 C -2.005 20.858 -44.180 1.00 32.52 C -1.968 23.074 -45.211 1.00 32.52 C -1.986 22.264 -44.056 1.00 32.52 C -1.984 22.835 -42.823 1.00 32.52 O 1.004 18.470 -49.082 1.00 36.18 N 1.546 17.105 -49.073 1.00 36.18 C 3.070 17.073 -48.939 1.00 36.18 C 3.741 16.318 -49.639 1.00 36.18 O 1.061 16.271 -50.274 1.00 36.18 C 1.456 14.917 -50.101 1.00 36.18 O 3.641 17.775 -47.957 1.00 39.75 N 4.838 17.224 -47.321 1.00 39.75 C 4.379 16.229 -46.254 1.00 39.75 C 4.445 16.470 -45.053 1.00 39.75 O 5.830 18.299 -46.861 1.00 39.75 C 7.242 17.687 -46.747 1.00 39.75 C 8.328 18.719 -46.462 1.00 39.75 C 9.588 18.356 -46.565 1.00 39.75 N 8.081 19.863 -46.132 1.00 39.75 O 3.890 15.071 -46.717 1.00 42.66 N 3.924 13.841 -45.927 1.00 42.66 C 5.413 13.525 -45.748 1.00 42.66 C 5.967 12.696 -46.469 1.00 42.66 O 3.116 12.719 -46.635 1.00 42.66 C 1.909 12.215 -45.827 1.00 42.66 C 1.170 11.110 -46.604 1.00 42.66 C -0.061 10.616 -45.832 1.00 42.66 C -0.838 9.613 -46.606 1.00 42.66 N1+ 6.088 14.203 -44.819 1.00 50.86 N 7.312 13.686 -44.212 1.00 50.86 C 6.894 12.437 -43.447 1.00 50.86 C 6.638 12.439 -42.247 1.00 50.86 O 8.010 14.733 -43.333 1.00 50.86 C 7.084 15.398 -42.501 1.00 50.86 O 6.686 11.357 -44.203 1.00 56.89 N 6.370 10.054 -43.655 1.00 56.89 C 7.451 9.752 -42.632 1.00 56.89 C 8.625 9.958 -42.916 1.00 56.89 O 6.365 9.009 -44.776 1.00 56.89 C 6.061 7.724 -44.261 1.00 56.89 O 7.094 9.222 -41.467 1.00 62.00 N 8.073 8.719 -40.501 1.00 62.00 C 9.155 7.838 -41.172 1.00 62.00 C 10.309 7.829 -40.753 1.00 62.00 O 7.277 7.954 -39.441 1.00 62.00 C 8.098 7.460 -38.274 1.00 62.00 C 8.365 6.086 -38.127 1.00 62.00 C 8.553 8.371 -37.304 1.00 62.00 C 9.075 5.628 -37.004 1.00 62.00 C 9.285 7.912 -36.196 1.00 62.00 C 9.548 6.540 -36.048 1.00 62.00 C 8.825 7.198 -42.309 1.00 63.97 N 9.778 6.518 -43.198 1.00 63.97 C 10.927 7.405 -43.701 1.00 63.97 C 12.047 6.919 -43.729 1.00 63.97 O 9.044 5.898 -44.397 1.00 63.97 C 8.094 4.763 -43.984 1.00 63.97 C 7.529 4.048 -45.220 1.00 63.97 C 6.634 2.878 -44.795 1.00 63.97 C 6.153 2.094 -45.962 1.00 63.97 N1+ 10.710 8.667 -44.079 1.00 65.84 N 11.792 9.562 -44.521 1.00 65.84 C 12.744 9.921 -43.378 1.00 65.84 C 13.945 10.015 -43.605 1.00 65.84 O 11.246 10.826 -45.203 1.00 65.84 C 10.529 11.668 -44.319 1.00 65.84 O 12.234 10.039 -42.146 1.00 65.84 N 13.055 10.224 -40.937 1.00 65.84 C 13.835 8.936 -40.614 1.00 65.84 C 15.003 8.992 -40.248 1.00 65.84 O 12.175 10.684 -39.746 1.00 65.84 C 11.439 12.006 -40.079 1.00 65.84 C 13.019 10.860 -38.469 1.00 65.84 C 10.459 12.477 -38.997 1.00 65.84 C 13.228 7.757 -40.787 1.00 69.52 N 13.913 6.475 -40.576 1.00 69.52 C 14.978 6.164 -41.644 1.00 69.52 C 15.972 5.504 -41.339 1.00 69.52 O 12.877 5.339 -40.539 1.00 69.52 C 11.998 5.263 -39.279 1.00 69.52 C 10.978 4.145 -39.505 1.00 69.52 C 12.809 4.935 -38.024 1.00 69.52 C 14.765 6.595 -42.891 1.00 70.72 N 15.647 6.299 -44.027 1.00 70.72 C 16.820 7.281 -44.150 1.00 70.72 C 17.869 6.903 -44.672 1.00 70.72 O 14.809 6.252 -45.320 1.00 70.72 C 13.905 5.008 -45.435 1.00 70.72 C 12.878 5.203 -46.553 1.00 70.72 C 14.708 3.744 -45.752 1.00 70.72 C 16.686 8.509 -43.647 1.00 81.19 N 17.770 9.489 -43.660 1.00 81.19 C 18.900 9.123 -42.671 1.00 81.19 C 18.687 8.870 -41.482 1.00 81.19 O 17.205 10.898 -43.440 1.00 81.19 C 18.338 11.903 -43.256 1.00 81.19 C 19.333 11.810 -44.011 1.00 81.19 O 18.302 12.630 -42.238 1.00 81.19 O1- 20.149 9.110 -43.158 1.00 82.04 N 21.336 8.708 -42.380 1.00 82.04 C 21.618 9.668 -41.223 1.00 82.04 C 22.089 9.219 -40.176 1.00 82.04 O 22.546 8.585 -43.324 1.00 82.04 C 23.795 7.988 -42.647 1.00 82.04 C 24.948 7.848 -43.655 1.00 82.04 C 26.197 7.233 -43.007 1.00 82.04 C 27.308 7.087 -43.986 1.00 82.04 N1+ 21.349 10.962 -41.397 1.00 82.42 N 21.519 11.960 -40.334 1.00 82.42 C 20.471 11.756 -39.244 1.00 82.42 C 20.823 11.609 -38.073 1.00 82.42 O 21.449 13.372 -40.916 1.00 82.42 C 22.557 13.564 -41.777 1.00 82.42 O 19.204 11.613 -39.635 1.00 81.23 N 18.083 11.317 -38.738 1.00 81.23 C 18.284 10.029 -37.926 1.00 81.23 C 18.024 10.013 -36.723 1.00 81.23 O 16.804 11.235 -39.567 1.00 81.23 C 16.543 12.477 -40.195 1.00 81.23 O 18.861 8.972 -38.520 1.00 81.84 N 19.218 7.731 -37.803 1.00 81.84 C 20.204 7.941 -36.652 1.00 81.84 C 20.072 7.263 -35.637 1.00 81.84 O 19.790 6.699 -38.782 1.00 81.84 C 18.696 6.048 -39.641 1.00 81.84 C 19.298 5.109 -40.692 1.00 81.84 C 20.004 3.967 -40.070 1.00 81.84 N 20.723 3.052 -40.694 1.00 81.84 C 20.905 3.090 -41.985 1.00 81.84 N1+ 21.270 2.073 -40.028 1.00 81.84 N 21.175 8.857 -36.777 1.00 85.01 N 22.117 9.163 -35.681 1.00 85.01 C 21.392 9.806 -34.503 1.00 85.01 C 21.597 9.392 -33.368 1.00 85.01 O 23.248 10.090 -36.145 1.00 85.01 C 24.203 9.447 -37.159 1.00 85.01 C 25.280 10.473 -37.532 1.00 85.01 C 26.271 9.913 -38.555 1.00 85.01 C 27.299 10.932 -38.887 1.00 85.01 N1+ 20.518 10.774 -34.778 1.00 85.62 N 19.720 11.431 -33.742 1.00 85.62 C 18.735 10.467 -33.082 1.00 85.62 C 18.629 10.460 -31.861 1.00 85.62 O 18.983 12.634 -34.334 1.00 85.62 C 19.914 13.732 -34.802 1.00 85.62 C 20.634 14.486 -33.855 1.00 85.62 C 20.059 14.002 -36.174 1.00 85.62 C 21.500 15.510 -34.280 1.00 85.62 C 20.932 15.018 -36.605 1.00 85.62 C 21.650 15.776 -35.658 1.00 85.62 C 22.481 16.762 -36.081 1.00 85.62 O 18.079 9.603 -33.862 1.00 85.25 N 17.223 8.548 -33.322 1.00 85.25 C 18.015 7.581 -32.440 1.00 85.25 C 17.566 7.279 -31.343 1.00 85.25 O 16.530 7.791 -34.464 1.00 85.25 C 15.372 8.554 -35.131 1.00 85.25 C 14.900 7.748 -36.340 1.00 85.25 C 14.181 8.738 -34.186 1.00 85.25 C 19.196 7.127 -32.869 1.00 86.80 N 20.037 6.247 -32.060 1.00 86.80 C 20.467 6.908 -30.738 1.00 86.80 C 20.400 6.265 -29.694 1.00 86.80 O 21.248 5.810 -32.893 1.00 86.80 C 20.844 8.192 -30.764 1.00 89.86 N 21.151 8.962 -29.553 1.00 89.86 C 19.929 9.107 -28.641 1.00 89.86 C 20.050 8.935 -27.432 1.00 89.86 O 21.688 10.352 -29.937 1.00 89.86 C 23.121 10.356 -30.496 1.00 89.86 C 23.457 11.757 -31.011 1.00 89.86 C 24.156 9.973 -29.436 1.00 89.86 C 18.753 9.376 -29.211 1.00 87.42 N 17.504 9.488 -28.464 1.00 87.42 C 17.113 8.151 -27.828 1.00 87.42 C 16.865 8.108 -26.630 1.00 87.42 O 16.426 10.067 -29.395 1.00 87.42 C 15.071 10.302 -28.698 1.00 87.42 C 14.421 11.577 -29.237 1.00 87.42 C 14.095 9.146 -28.939 1.00 87.42 C 17.123 7.048 -28.582 1.00 87.13 N 16.837 5.714 -28.048 1.00 87.13 C 17.863 5.287 -26.997 1.00 87.13 C 17.473 4.739 -25.968 1.00 87.13 O 16.775 4.676 -29.178 1.00 87.13 C 15.478 4.686 -29.964 1.00 87.13 C 14.272 4.347 -29.323 1.00 87.13 C 15.469 5.000 -31.336 1.00 87.13 C 13.064 4.352 -30.041 1.00 87.13 C 14.260 5.021 -32.052 1.00 87.13 C 13.056 4.699 -31.403 1.00 87.13 C 19.151 5.566 -27.217 1.00 90.96 N 20.208 5.315 -26.238 1.00 90.96 C 19.995 6.111 -24.949 1.00 90.96 C 20.019 5.535 -23.865 1.00 90.96 O 19.692 7.407 -25.064 1.00 91.62 N 19.383 8.282 -23.933 1.00 91.62 C 18.118 7.867 -23.181 1.00 91.62 C 18.143 7.776 -21.959 1.00 91.62 O 17.033 7.542 -23.889 1.00 88.92 N 15.797 7.036 -23.286 1.00 88.92 C 16.001 5.681 -22.600 1.00 88.92 C 15.459 5.467 -21.521 1.00 88.92 O 14.706 6.911 -24.360 1.00 88.92 C 14.119 8.544 -24.892 1.00 88.92 S 16.789 4.781 -23.196 1.00 89.01 N 17.104 3.483 -22.589 1.00 89.01 C 17.922 3.674 -21.318 1.00 89.01 C 17.562 3.130 -20.281 1.00 89.01 O 17.866 2.572 -23.556 1.00 89.01 C 17.116 2.367 -24.736 1.00 89.01 O 18.970 4.503 -21.366 1.00 92.65 N 19.765 4.842 -20.187 1.00 92.65 C 18.889 5.461 -19.093 1.00 92.65 C 18.937 5.005 -17.958 1.00 92.65 O 20.913 5.778 -20.606 1.00 92.65 C 21.843 6.184 -19.446 1.00 92.65 C 22.562 4.980 -18.834 1.00 92.65 C 22.897 7.165 -19.960 1.00 92.65 C 18.042 6.431 -19.446 1.00 91.52 N 17.097 7.058 -18.522 1.00 91.52 C 16.133 6.045 -17.898 1.00 91.52 C 15.872 6.106 -16.701 1.00 91.52 O 16.316 8.146 -19.271 1.00 91.52 C 15.335 8.903 -18.400 1.00 91.52 C 13.963 8.582 -18.411 1.00 91.52 C 15.803 9.942 -17.577 1.00 91.52 C 13.066 9.316 -17.612 1.00 91.52 C 14.907 10.658 -16.765 1.00 91.52 C 13.539 10.343 -16.781 1.00 91.52 C 15.622 5.099 -18.689 1.00 90.72 N 14.776 4.023 -18.188 1.00 90.72 C 15.517 3.169 -17.156 1.00 90.72 C 15.026 3.007 -16.043 1.00 90.72 O 14.245 3.189 -19.357 1.00 90.72 C 13.386 2.025 -18.915 1.00 90.72 C 13.944 0.734 -18.824 1.00 90.72 C 12.039 2.240 -18.567 1.00 90.72 C 13.147 -0.346 -18.403 1.00 90.72 C 11.239 1.161 -18.147 1.00 90.72 C 11.795 -0.134 -18.066 1.00 90.72 C 11.031 -1.179 -17.654 1.00 90.72 O 16.718 2.688 -17.493 1.00 91.19 N 17.514 1.839 -16.605 1.00 91.19 C 17.944 2.548 -15.317 1.00 91.19 C 17.937 1.918 -14.263 1.00 91.19 O 18.741 1.294 -17.354 1.00 91.19 C 18.428 0.154 -18.304 1.00 91.19 C 18.009 -1.087 -17.787 1.00 91.19 C 18.578 0.312 -19.694 1.00 91.19 C 17.707 -2.153 -18.655 1.00 91.19 C 18.251 -0.739 -20.570 1.00 91.19 C 17.816 -1.974 -20.051 1.00 91.19 C 17.523 -2.995 -20.897 1.00 91.19 O 18.286 3.840 -15.367 1.00 92.26 N 18.713 4.591 -14.173 1.00 92.26 C 17.569 4.947 -13.222 1.00 92.26 C 17.842 5.315 -12.085 1.00 92.26 O 19.474 5.874 -14.531 1.00 92.26 C 20.790 5.601 -15.262 1.00 92.26 C 18.697 6.743 -15.325 1.00 92.26 O 16.310 4.827 -13.656 1.00 92.76 N 15.115 5.068 -12.831 1.00 92.76 C 14.299 3.787 -12.591 1.00 92.76 C 13.104 3.847 -12.276 1.00 92.76 O 14.258 6.174 -13.453 1.00 92.76 C 14.935 7.511 -13.556 1.00 92.76 C 14.785 8.577 -12.713 1.00 92.76 C 15.814 7.888 -14.537 1.00 92.76 N 16.187 9.152 -14.295 1.00 92.76 C 15.569 9.628 -13.205 1.00 92.76 N 14.924 2.619 -12.768 1.00 92.20 N 14.366 1.370 -12.272 1.00 92.20 C 14.539 1.302 -10.755 1.00 92.20 C 15.633 1.470 -10.228 1.00 92.20 O 14.999 0.153 -12.964 1.00 92.20 C 14.526 -0.071 -14.410 1.00 92.20 C 15.272 -1.265 -15.007 1.00 92.20 C 13.022 -0.355 -14.499 1.00 92.20 C 13.437 1.013 -10.083 1.00 89.30 N 13.321 0.854 -8.641 1.00 89.30 C 12.684 -0.513 -8.326 1.00 89.30 C 12.127 -1.177 -9.212 1.00 89.30 O 12.517 2.049 -8.097 1.00 89.30 C 12.391 2.041 -6.575 1.00 89.30 C 13.347 1.563 -5.931 1.00 89.30 O 11.293 2.423 -6.095 1.00 89.30 O1- 12.763 -0.954 -7.072 1.00 90.61 N 12.114 -2.176 -6.584 1.00 90.61 C 10.852 -1.825 -5.801 1.00 90.61 C 10.860 -0.935 -4.958 1.00 90.61 O 13.118 -3.000 -5.759 1.00 90.61 C 14.235 -3.640 -6.609 1.00 90.61 C 13.636 -4.638 -7.602 1.00 90.61 C 14.660 -5.584 -8.217 1.00 90.61 C 13.942 -6.592 -9.029 1.00 90.61 N1+ 9.739 -2.488 -6.113 1.00 88.72 N 8.508 -2.305 -5.348 1.00 88.72 C 8.645 -2.908 -3.941 1.00 88.72 C 9.268 -3.965 -3.808 1.00 88.72 O 7.326 -2.926 -6.090 1.00 88.72 C 8.032 -2.295 -2.911 1.00 82.40 N 7.997 -2.906 -1.592 1.00 82.40 C 7.205 -4.219 -1.645 1.00 82.40 C 6.261 -4.356 -2.423 1.00 82.40 O 7.367 -1.861 -0.669 1.00 82.40 C 6.471 -1.053 -1.603 1.00 82.40 C 7.211 -1.090 -2.941 1.00 82.40 C 7.588 -5.181 -0.802 1.00 81.85 N 6.986 -6.524 -0.662 1.00 81.85 C 7.229 -7.484 -1.832 1.00 81.85 C 7.581 -8.634 -1.585 1.00 81.85 O 5.479 -6.435 -0.321 1.00 81.85 C 4.850 -7.812 -0.091 1.00 81.85 C 5.251 -5.586 0.936 1.00 81.85 C 7.010 -7.072 -3.084 1.00 84.16 N 7.067 -7.986 -4.238 1.00 84.16 C 8.430 -8.065 -4.929 1.00 84.16 C 8.623 -8.938 -5.777 1.00 84.16 O 6.000 -7.605 -5.264 1.00 84.16 C 6.380 -6.433 -5.952 1.00 84.16 O 9.339 -7.126 -4.643 1.00 87.36 N 10.633 -6.957 -5.318 1.00 87.36 C 10.538 -6.885 -6.855 1.00 87.36 C 11.520 -7.110 -7.589 1.00 87.36 O 11.650 -8.000 -4.826 1.00 87.36 C 12.024 -7.808 -3.357 1.00 87.36 C 12.213 -6.634 -2.972 1.00 87.36 O 12.190 -8.839 -2.672 1.00 87.36 O1- 9.357 -6.539 -7.393 1.00 91.24 N 9.203 -6.350 -8.836 1.00 91.24 C 9.965 -5.105 -9.269 1.00 91.24 C 9.943 -4.071 -8.602 1.00 91.24 O 7.734 -6.361 -9.288 1.00 91.24 C 6.999 -5.046 -9.021 1.00 91.24 C 5.560 -5.102 -9.522 1.00 91.24 C 4.819 -3.950 -9.008 1.00 91.24 N 4.800 -2.732 -9.486 1.00 91.24 C 5.359 -2.419 -10.621 1.00 91.24 N1+ 4.208 -1.815 -8.793 1.00 91.24 N 10.623 -5.198 -10.420 1.00 90.35 N 11.242 -4.030 -11.042 1.00 90.35 C 10.153 -3.110 -11.587 1.00 90.35 C 9.281 -3.545 -12.342 1.00 90.35 O 12.211 -4.440 -12.150 1.00 90.35 C 13.227 -5.296 -11.641 1.00 90.35 O 10.211 -1.836 -11.216 1.00 91.82 N 9.269 -0.796 -11.631 1.00 91.82 C 10.022 0.441 -12.086 1.00 91.82 C 11.139 0.679 -11.654 1.00 91.82 O 8.301 -0.491 -10.482 1.00 91.82 C 9.007 0.022 -9.221 1.00 91.82 C 7.980 0.341 -8.152 1.00 91.82 C 8.626 0.937 -6.972 1.00 91.82 N 8.012 1.259 -5.860 1.00 91.82 C 6.744 1.009 -5.726 1.00 91.82 N1+ 8.688 1.820 -4.905 1.00 91.82 N 9.410 1.230 -12.956 1.00 91.21 N 10.000 2.471 -13.449 1.00 91.21 C 9.324 3.663 -12.773 1.00 91.21 C 8.133 3.899 -12.991 1.00 91.21 O 9.880 2.492 -14.973 1.00 91.21 C 10.281 3.810 -15.593 1.00 91.21 C 9.286 4.670 -16.092 1.00 91.21 C 11.636 4.188 -15.653 1.00 91.21 C 9.644 5.893 -16.675 1.00 91.21 C 11.986 5.419 -16.234 1.00 91.21 C 10.993 6.264 -16.748 1.00 91.21 C 10.078 4.403 -11.958 1.00 92.08 N 9.597 5.602 -11.263 1.00 92.08 C 10.605 6.730 -11.472 1.00 92.08 C 11.623 6.804 -10.793 1.00 92.08 O 9.317 5.345 -9.760 1.00 92.08 C 8.282 4.210 -9.578 1.00 92.08 C 8.810 6.649 -9.102 1.00 92.08 C 7.837 3.979 -8.128 1.00 92.08 C 10.294 7.646 -12.388 1.00 91.29 N 11.087 8.867 -12.586 1.00 91.29 C 10.481 10.086 -11.880 1.00 91.29 C 11.144 11.106 -11.699 1.00 91.29 O 11.280 9.123 -14.081 1.00 91.29 C 10.074 9.679 -14.772 1.00 91.29 C 9.053 8.960 -15.277 1.00 91.29 C 9.710 11.077 -14.971 1.00 91.29 C 8.422 11.127 -15.583 1.00 91.29 C 10.327 12.306 -14.660 1.00 91.29 C 8.096 9.805 -15.800 1.00 91.29 N 7.763 12.340 -15.833 1.00 91.29 C 9.694 13.529 -14.951 1.00 91.29 C 8.413 13.548 -15.529 1.00 91.29 C 9.211 9.993 -11.472 1.00 89.96 N 8.523 11.063 -10.748 1.00 89.96 C 9.118 11.188 -9.344 1.00 89.96 C 8.974 10.307 -8.489 1.00 89.96 O 7.001 10.832 -10.732 1.00 89.96 C 6.264 11.890 -9.900 1.00 89.96 C 6.435 10.909 -12.157 1.00 89.96 C 9.792 12.313 -9.104 1.00 91.13 N 10.360 12.648 -7.799 1.00 91.13 C 9.264 12.930 -6.769 1.00 91.13 C 8.161 13.362 -7.115 1.00 91.13 O 11.322 13.834 -7.927 1.00 91.13 C 10.629 15.041 -8.198 1.00 91.13 O 9.570 12.737 -5.480 1.00 90.06 N 8.610 12.991 -4.395 1.00 90.06 C 8.072 14.436 -4.383 1.00 90.06 C 6.858 14.590 -4.274 1.00 90.06 O 9.210 12.546 -3.044 1.00 90.06 C 8.238 12.637 -1.857 1.00 90.06 C 6.984 11.792 -2.100 1.00 90.06 C 6.132 11.695 -0.905 1.00 90.06 N 4.926 11.154 -0.887 1.00 90.06 C 4.354 10.715 -1.975 1.00 90.06 N1+ 4.281 11.014 0.236 1.00 90.06 N 8.883 15.498 -4.571 1.00 90.89 N 8.356 16.866 -4.642 1.00 90.89 C 7.388 17.093 -5.811 1.00 90.89 C 6.390 17.803 -5.662 1.00 90.89 O 9.585 17.775 -4.764 1.00 90.89 C 10.703 16.950 -4.132 1.00 90.89 C 10.340 15.531 -4.551 1.00 90.89 C 7.655 16.478 -6.970 1.00 89.77 N 6.765 16.559 -8.127 1.00 89.77 C 5.452 15.810 -7.864 1.00 89.77 C 4.381 16.342 -8.143 1.00 89.77 O 7.502 16.022 -9.367 1.00 89.77 C 6.661 16.043 -10.657 1.00 89.77 C 6.190 17.453 -11.024 1.00 89.77 C 7.491 15.495 -11.818 1.00 89.77 C 5.533 14.619 -7.271 1.00 89.33 N 4.380 13.817 -6.853 1.00 89.33 C 3.460 14.598 -5.899 1.00 89.33 C 2.257 14.693 -6.138 1.00 89.33 O 4.910 12.543 -6.178 1.00 89.33 C 3.840 11.475 -5.959 1.00 89.33 C 4.340 10.342 -5.049 1.00 89.33 C 3.479 9.630 -4.501 1.00 89.33 O 5.573 10.193 -4.827 1.00 89.33 O1- 4.030 15.230 -4.865 1.00 90.24 N 3.297 16.070 -3.909 1.00 90.24 C 2.681 17.307 -4.575 1.00 90.24 C 1.558 17.700 -4.255 1.00 90.24 O 4.257 16.510 -2.787 1.00 90.24 C 4.748 15.385 -1.859 1.00 90.24 C 5.774 15.954 -0.879 1.00 90.24 C 3.609 14.758 -1.063 1.00 90.24 C 3.395 17.914 -5.526 1.00 88.13 N 2.887 19.057 -6.294 1.00 88.13 C 1.658 18.657 -7.108 1.00 88.13 C 0.632 19.333 -7.031 1.00 88.13 O 3.979 19.636 -7.203 1.00 88.13 C 3.484 20.815 -8.038 1.00 88.13 C 5.043 20.117 -6.418 1.00 88.13 O 1.734 17.542 -7.843 1.00 86.29 N 0.612 16.989 -8.614 1.00 86.29 C -0.555 16.645 -7.678 1.00 86.29 C -1.677 17.079 -7.931 1.00 86.29 O 1.091 15.778 -9.450 1.00 86.29 C 2.050 16.248 -10.570 1.00 86.29 C -0.104 15.024 -10.060 1.00 86.29 C 2.802 15.105 -11.265 1.00 86.29 C -0.283 15.968 -6.557 1.00 87.37 N -1.287 15.644 -5.539 1.00 87.37 C -2.038 16.877 -5.026 1.00 87.37 C -3.262 16.859 -4.946 1.00 87.37 O -1.341 17.990 -4.776 1.00 88.55 N -1.962 19.251 -4.353 1.00 88.55 C -2.835 19.895 -5.450 1.00 88.55 C -3.891 20.459 -5.155 1.00 88.55 O -0.845 20.204 -3.905 1.00 88.55 C -1.348 21.497 -3.281 1.00 88.55 C -0.546 22.535 -3.317 1.00 88.55 N -2.423 21.621 -2.722 1.00 88.55 O -2.426 19.826 -6.721 1.00 87.13 N -3.265 20.297 -7.830 1.00 87.13 C -4.561 19.490 -7.930 1.00 87.13 C -5.642 20.079 -8.011 1.00 87.13 O -2.500 20.253 -9.160 1.00 87.13 C -1.618 21.460 -9.391 1.00 87.13 C -2.208 22.701 -9.699 1.00 87.13 C -0.218 21.345 -9.330 1.00 87.13 C -1.398 23.831 -9.919 1.00 87.13 C 0.596 22.472 -9.540 1.00 87.13 C 0.005 23.718 -9.832 1.00 87.13 C 0.783 24.811 -10.038 1.00 87.13 O -4.461 18.165 -7.855 1.00 86.65 N -5.619 17.268 -7.893 1.00 86.65 C -6.500 17.439 -6.663 1.00 86.65 C -7.715 17.534 -6.807 1.00 86.65 O -5.147 15.825 -8.057 1.00 86.65 C -6.292 14.819 -8.122 1.00 86.65 C -4.442 15.778 -9.271 1.00 86.65 O -5.912 17.616 -5.476 1.00 90.33 N -6.645 17.961 -4.259 1.00 90.33 C -7.487 19.225 -4.449 1.00 90.33 C -8.687 19.204 -4.201 1.00 90.33 O -5.667 18.145 -3.091 1.00 90.33 C -6.323 18.689 -1.836 1.00 90.33 C -5.887 19.897 -1.253 1.00 90.33 C -7.397 17.986 -1.266 1.00 90.33 C -6.511 20.379 -0.083 1.00 90.33 C -8.037 18.479 -0.117 1.00 90.33 C -7.590 19.667 0.489 1.00 90.33 C -8.193 20.102 1.624 1.00 90.33 O -6.904 20.310 -4.974 1.00 89.43 N -7.644 21.552 -5.262 1.00 89.43 C -8.735 21.365 -6.317 1.00 89.43 C -9.739 22.072 -6.275 1.00 89.43 O -6.671 22.643 -5.721 1.00 89.43 C -5.801 23.163 -4.573 1.00 89.43 C -4.746 24.131 -5.117 1.00 89.43 C -3.860 24.601 -3.964 1.00 89.43 C -2.773 25.491 -4.439 1.00 89.43 N1+ -8.530 20.476 -7.288 1.00 87.76 N -9.534 20.141 -8.305 1.00 87.76 C -10.732 19.427 -7.676 1.00 87.76 C -11.861 19.897 -7.802 1.00 87.76 O -8.901 19.284 -9.409 1.00 87.76 C -9.784 19.182 -10.505 1.00 87.76 O -10.470 18.365 -6.911 1.00 88.22 N -11.487 17.560 -6.225 1.00 88.22 C -12.212 18.395 -5.176 1.00 88.22 C -13.435 18.435 -5.183 1.00 88.22 O -10.835 16.298 -5.622 1.00 88.22 C -10.380 15.390 -6.789 1.00 88.22 C -11.796 15.543 -4.685 1.00 88.22 C -9.518 14.208 -6.357 1.00 88.22 C -11.481 19.153 -4.356 1.00 89.24 N -12.063 20.060 -3.370 1.00 89.24 C -13.099 20.996 -4.000 1.00 89.24 C -14.203 21.125 -3.489 1.00 89.24 O -10.951 20.873 -2.696 1.00 89.24 C -11.465 21.854 -1.692 1.00 89.24 C -11.834 23.131 -1.944 1.00 89.24 C -11.819 21.603 -0.300 1.00 89.24 C -12.402 22.790 0.236 1.00 89.24 C -11.749 20.478 0.549 1.00 89.24 C -12.401 23.684 -0.813 1.00 89.24 N -12.887 22.864 1.548 1.00 89.24 C -12.239 20.542 1.867 1.00 89.24 C -12.804 21.727 2.368 1.00 89.24 C -12.805 21.612 -5.154 1.00 89.47 N -13.781 22.484 -5.836 1.00 89.47 C -15.049 21.746 -6.266 1.00 89.47 C -16.105 22.371 -6.277 1.00 89.47 O -13.153 23.136 -7.067 1.00 89.47 C -12.161 24.240 -6.698 1.00 89.47 C -11.519 24.743 -7.991 1.00 89.47 C -10.349 25.600 -7.724 1.00 89.47 N -9.125 25.413 -8.186 1.00 89.47 C -8.796 24.366 -8.892 1.00 89.47 N1+ -8.197 26.298 -7.951 1.00 89.47 N -14.929 20.470 -6.632 1.00 88.09 N -16.043 19.628 -7.069 1.00 88.09 C -16.880 19.126 -5.887 1.00 88.09 C -18.096 19.067 -6.005 1.00 88.09 O -15.508 18.438 -7.888 1.00 88.09 C -14.863 18.869 -9.215 1.00 88.09 C -14.156 17.731 -9.952 1.00 88.09 C -13.393 18.041 -10.978 1.00 88.09 N -14.247 16.553 -9.641 1.00 88.09 O -16.251 18.795 -4.755 1.00 91.35 N -16.912 18.090 -3.646 1.00 91.35 C -17.146 18.943 -2.399 1.00 91.35 C -17.854 18.493 -1.510 1.00 91.35 O -16.141 16.817 -3.263 1.00 91.35 C -15.946 15.859 -4.439 1.00 91.35 C -14.862 17.148 -2.768 1.00 91.35 O -16.591 20.158 -2.291 1.00 92.45 N -16.629 20.976 -1.059 1.00 92.45 C -18.024 21.211 -0.466 1.00 92.45 C -18.124 21.426 0.735 1.00 92.45 O -15.953 22.346 -1.268 1.00 92.45 C -16.594 23.159 -2.407 1.00 92.45 C -15.891 24.474 -2.712 1.00 92.45 C -16.084 24.992 -3.907 1.00 92.45 N -15.174 25.074 -1.923 1.00 92.45 O -19.083 21.199 -1.281 1.00 93.38 N -20.457 21.390 -0.799 1.00 93.38 C -21.021 20.140 -0.111 1.00 93.38 C -21.871 20.267 0.762 1.00 93.38 O -21.360 21.825 -1.964 1.00 93.38 C -20.971 23.219 -2.482 1.00 93.38 C -21.897 23.750 -3.571 1.00 93.38 C -21.776 25.011 -3.925 1.00 93.38 N -22.725 23.080 -4.152 1.00 93.38 O -20.502 18.964 -0.464 1.00 94.50 N -20.925 17.660 0.057 1.00 94.50 C -20.001 17.155 1.178 1.00 94.50 C -20.276 16.137 1.810 1.00 94.50 O -20.953 16.647 -1.104 1.00 94.50 C -21.862 17.033 -2.286 1.00 94.50 C -23.344 17.204 -1.913 1.00 94.50 C -24.052 17.878 -2.694 1.00 94.50 O -23.749 16.708 -0.839 1.00 94.50 O1- -18.873 17.829 1.436 1.00 95.61 N -17.939 17.424 2.492 1.00 95.61 C -18.536 17.743 3.866 1.00 95.61 C -18.865 18.890 4.173 1.00 95.61 O -16.529 18.026 2.291 1.00 95.61 C -15.844 17.368 1.073 1.00 95.61 C -15.640 17.812 3.533 1.00 95.61 C -14.517 18.027 0.670 1.00 95.61 C -18.611 16.727 4.727 1.00 96.27 N -19.040 16.892 6.113 1.00 96.27 C -18.036 17.739 6.909 1.00 96.27 C -16.823 17.608 6.713 1.00 96.27 O -19.222 15.522 6.785 1.00 96.27 C -20.348 14.680 6.176 1.00 96.27 C -20.371 13.302 6.832 1.00 96.27 C -21.727 15.315 6.384 1.00 96.27 C -18.505 18.561 7.865 1.00 95.85 N -17.605 19.319 8.721 1.00 95.85 C -16.726 18.376 9.565 1.00 95.85 C -17.169 17.274 9.912 1.00 95.85 O -18.503 20.222 9.572 1.00 95.85 C -19.841 19.484 9.606 1.00 95.85 C -19.893 18.769 8.255 1.00 95.85 C -15.505 18.793 9.957 1.00 93.68 N -14.607 17.961 10.766 1.00 93.68 C -15.213 17.523 12.106 1.00 93.68 C -14.902 16.452 12.606 1.00 93.68 O -13.351 18.811 10.986 1.00 93.68 C -13.347 19.765 9.793 1.00 93.68 C -14.832 20.018 9.549 1.00 93.68 C -16.124 18.322 12.672 1.00 94.43 N -16.789 18.034 13.948 1.00 94.43 C -17.933 17.015 13.823 1.00 94.43 C -18.520 16.622 14.830 1.00 94.43 O -17.313 19.338 14.581 1.00 94.43 C -16.224 20.393 14.841 1.00 94.43 C -15.735 21.107 13.583 1.00 94.43 C -14.489 21.518 13.537 1.00 94.43 N -16.442 21.281 12.602 1.00 94.43 O -18.298 16.604 12.605 1.00 96.91 N -19.366 15.633 12.408 1.00 96.91 C -18.954 14.255 12.969 1.00 96.91 C -17.833 13.816 12.703 1.00 96.91 O -19.721 15.559 10.920 1.00 96.91 C -20.936 14.718 10.660 1.00 96.91 C -22.237 15.138 10.626 1.00 96.91 C -20.938 13.366 10.433 1.00 96.91 N -22.210 12.973 10.259 1.00 96.91 C -23.036 14.019 10.382 1.00 96.91 N -19.841 13.511 13.666 1.00 96.84 N -19.490 12.226 14.285 1.00 96.84 C -18.879 11.208 13.313 1.00 96.84 C -17.952 10.481 13.664 1.00 96.84 O -20.800 11.696 14.878 1.00 96.84 C -21.592 12.965 15.181 1.00 96.84 C -21.193 13.904 14.048 1.00 96.84 C -19.371 11.177 12.069 1.00 96.31 N -18.827 10.315 11.016 1.00 96.31 C -17.408 10.726 10.588 1.00 96.31 C -16.571 9.852 10.387 1.00 96.31 O -19.797 10.296 9.821 1.00 96.31 C -19.411 9.331 8.689 1.00 96.31 C -19.317 7.880 9.161 1.00 96.31 C -20.466 9.434 7.588 1.00 96.31 C -17.129 12.031 10.487 1.00 96.78 N -15.795 12.549 10.156 1.00 96.78 C -14.791 12.174 11.240 1.00 96.78 C -13.765 11.580 10.927 1.00 96.78 O -15.817 14.072 9.973 1.00 96.78 C -16.765 14.449 8.990 1.00 96.78 O -15.146 12.398 12.511 1.00 97.17 N -14.319 12.038 13.673 1.00 97.17 C -14.049 10.531 13.704 1.00 97.17 C -12.920 10.097 13.918 1.00 97.17 O -15.013 12.492 14.980 1.00 97.17 C -15.141 14.032 15.020 1.00 97.17 C -14.250 11.978 16.219 1.00 97.17 C -16.010 14.559 16.168 1.00 97.17 C -15.080 9.708 13.478 1.00 97.26 N -14.932 8.249 13.429 1.00 97.26 C -13.933 7.823 12.351 1.00 97.26 C -13.025 7.050 12.641 1.00 97.26 O -16.310 7.603 13.228 1.00 97.26 C -16.190 6.099 12.945 1.00 97.26 C -17.543 5.426 12.723 1.00 97.26 C -18.234 5.102 14.048 1.00 97.26 C -18.799 3.736 13.982 1.00 97.26 N1+ -14.113 8.299 11.120 1.00 97.13 N -13.270 7.915 9.980 1.00 97.13 C -11.840 8.423 10.177 1.00 97.13 C -10.897 7.678 9.927 1.00 97.13 O -13.917 8.418 8.673 1.00 97.13 C -15.192 7.580 8.404 1.00 97.13 C -12.977 8.329 7.457 1.00 97.13 C -16.055 8.060 7.236 1.00 97.13 C -11.673 9.647 10.677 1.00 96.84 N -10.370 10.196 11.049 1.00 96.84 C -9.680 9.321 12.101 1.00 96.84 C -8.550 8.897 11.886 1.00 96.84 O -10.559 11.646 11.513 1.00 96.84 C -9.252 12.312 11.966 1.00 96.84 C -9.402 13.832 12.149 1.00 96.84 C -8.371 14.531 12.026 1.00 96.84 O -10.539 14.299 12.391 1.00 96.84 O1- -10.374 8.938 13.176 1.00 96.96 N -9.822 8.047 14.200 1.00 96.96 C -9.402 6.682 13.635 1.00 96.96 C -8.354 6.158 14.010 1.00 96.96 O -10.861 7.858 15.317 1.00 96.96 C -11.008 9.069 16.218 1.00 96.96 C -12.101 9.165 16.937 1.00 96.96 N -10.130 9.896 16.362 1.00 96.96 O -10.206 6.096 12.740 1.00 97.52 N -9.867 4.832 12.069 1.00 97.52 C -8.602 5.008 11.225 1.00 97.52 C -7.659 4.229 11.354 1.00 97.52 O -11.061 4.321 11.225 1.00 97.52 C -12.198 3.835 12.154 1.00 97.52 C -10.641 3.190 10.264 1.00 97.52 C -13.531 3.603 11.428 1.00 97.52 C -8.557 6.050 10.394 1.00 97.32 N -7.429 6.308 9.508 1.00 97.32 C -6.141 6.609 10.283 1.00 97.32 C -5.080 6.088 9.952 1.00 97.32 O -7.784 7.453 8.554 1.00 97.32 C -6.757 7.595 7.456 1.00 97.32 C -5.714 8.525 7.575 1.00 97.32 C -6.782 6.712 6.364 1.00 97.32 C -4.690 8.542 6.616 1.00 97.32 C -5.770 6.743 5.390 1.00 97.32 C -4.711 7.656 5.524 1.00 97.32 C -6.220 7.387 11.361 1.00 96.43 N -5.051 7.717 12.173 1.00 96.43 C -4.470 6.493 12.891 1.00 96.43 C -3.249 6.388 12.983 1.00 96.43 O -5.387 8.853 13.150 1.00 96.43 C -5.618 10.194 12.431 1.00 96.43 C -4.300 10.757 11.310 1.00 96.43 S -2.936 10.953 12.484 1.00 96.43 C -5.296 5.518 13.302 1.00 96.01 N -4.800 4.219 13.802 1.00 96.01 C -4.021 3.449 12.734 1.00 96.01 C -2.992 2.854 13.038 1.00 96.01 O -5.963 3.352 14.301 1.00 96.01 C -6.538 3.831 15.637 1.00 96.01 C -7.744 2.958 16.000 1.00 96.01 C -8.326 3.383 17.348 1.00 96.01 C -9.424 2.471 17.755 1.00 96.01 N1+ -4.488 3.479 11.483 1.00 96.99 N -3.800 2.861 10.338 1.00 96.99 C -2.447 3.547 10.095 1.00 96.99 C -1.437 2.867 9.922 1.00 96.99 O -4.715 2.892 9.089 1.00 96.99 C -5.961 2.006 9.305 1.00 96.99 C -3.996 2.451 7.806 1.00 96.99 C -7.044 2.214 8.241 1.00 96.99 C -2.401 4.883 10.124 1.00 95.90 N -1.151 5.650 9.984 1.00 95.90 C -0.175 5.325 11.117 1.00 95.90 C 0.996 5.057 10.855 1.00 95.90 O -1.438 7.162 9.917 1.00 95.90 C -0.158 8.008 9.926 1.00 95.90 C -2.201 7.524 8.637 1.00 95.90 C -0.642 5.294 12.367 1.00 94.38 N 0.186 4.942 13.527 1.00 94.38 C 0.744 3.515 13.417 1.00 94.38 C 1.916 3.273 13.706 1.00 94.38 O -0.645 5.100 14.812 1.00 94.38 C 0.239 5.004 16.065 1.00 94.38 C -0.545 4.890 17.379 1.00 94.38 C 0.085 4.396 18.348 1.00 94.38 O -1.753 5.204 17.409 1.00 94.38 O1- -0.073 2.566 12.958 1.00 95.16 N 0.362 1.197 12.716 1.00 95.16 C 1.416 1.104 11.606 1.00 95.16 C 2.352 0.317 11.734 1.00 95.16 O -0.866 0.361 12.380 1.00 95.16 C 1.302 1.913 10.551 1.00 95.19 N 2.290 1.954 9.477 1.00 95.19 C 3.646 2.492 9.953 1.00 95.19 C 4.665 1.914 9.601 1.00 95.19 O 1.731 2.766 8.312 1.00 95.19 C 3.672 3.511 10.821 1.00 93.13 N 4.917 3.993 11.446 1.00 93.13 C 5.646 2.920 12.270 1.00 93.13 C 6.868 2.974 12.426 1.00 93.13 O 4.600 5.184 12.362 1.00 93.13 C 4.639 6.526 11.672 1.00 93.13 C 5.883 7.042 11.263 1.00 93.13 C 3.462 7.274 11.478 1.00 93.13 C 5.961 8.318 10.682 1.00 93.13 C 3.535 8.554 10.893 1.00 93.13 C 4.789 9.079 10.511 1.00 93.13 C 4.883 10.318 9.969 1.00 93.13 O 4.896 1.961 12.829 1.00 90.96 N 5.423 0.833 13.612 1.00 90.96 C 5.816 -0.364 12.742 1.00 90.96 C 6.397 -1.316 13.262 1.00 90.96 O 4.389 0.412 14.671 1.00 90.96 C 4.131 1.490 15.735 1.00 90.96 C 2.979 1.078 16.665 1.00 90.96 C 2.611 2.255 17.577 1.00 90.96 C 1.360 2.020 18.340 1.00 90.96 N1+ 5.475 -0.366 11.454 1.00 90.69 N 5.799 -1.466 10.554 1.00 90.69 C 7.235 -1.310 10.018 1.00 90.69 C 7.513 -0.363 9.284 1.00 90.69 O 4.765 -1.567 9.423 1.00 90.69 C 4.898 -2.883 8.645 1.00 90.69 C 6.035 -3.359 8.423 1.00 90.69 O 3.856 -3.506 8.351 1.00 90.69 O1- 8.159 -2.240 10.320 1.00 87.56 N 9.547 -2.147 9.863 1.00 87.56 C 9.710 -2.275 8.340 1.00 87.56 C 10.784 -1.987 7.819 1.00 87.56 O 10.273 -3.278 10.597 1.00 87.56 C 9.179 -4.321 10.819 1.00 87.56 C 7.951 -3.460 11.087 1.00 87.56 C 8.683 -2.736 7.620 1.00 86.64 N 8.690 -2.815 6.155 1.00 86.64 C 8.289 -1.505 5.469 1.00 86.64 C 8.438 -1.387 4.251 1.00 86.64 O 7.809 -3.973 5.680 1.00 86.64 C 6.429 -3.742 5.882 1.00 86.64 O 7.791 -0.524 6.229 1.00 89.55 N 7.376 0.780 5.713 1.00 89.55 C 8.536 1.770 5.799 1.00 89.55 C 9.171 1.942 6.836 1.00 89.55 O 6.114 1.281 6.442 1.00 89.55 C 5.737 2.706 6.018 1.00 89.55 C 4.917 0.372 6.112 1.00 89.55 C 8.803 2.459 4.691 1.00 89.55 N 9.738 3.581 4.664 1.00 89.55 C 9.089 4.816 5.307 1.00 89.55 C 8.262 5.498 4.695 1.00 89.55 O 10.189 3.831 3.218 1.00 89.55 C 11.140 5.023 3.065 1.00 89.55 C 11.530 5.653 4.078 1.00 89.55 O 11.456 5.356 1.904 1.00 89.55 O1- 9.481 5.116 6.547 1.00 90.73 N 8.955 6.250 7.309 1.00 90.73 C 9.203 7.610 6.633 1.00 90.73 C 8.418 8.535 6.843 1.00 90.73 O 9.523 6.205 8.740 1.00 90.73 C 8.880 5.118 9.587 1.00 90.73 C 9.459 4.769 10.711 1.00 90.73 N 7.828 4.592 9.280 1.00 90.73 O 10.188 7.728 5.731 1.00 89.43 N 10.399 8.966 4.965 1.00 89.43 C 9.210 9.318 4.058 1.00 89.43 C 9.032 10.475 3.668 1.00 89.43 O 11.683 8.873 4.137 1.00 89.43 C 11.509 8.109 2.962 1.00 89.43 O 8.356 8.336 3.743 1.00 88.51 N 7.117 8.544 2.998 1.00 88.51 C 6.001 9.149 3.846 1.00 88.51 C 5.057 9.681 3.261 1.00 88.51 O 6.637 7.214 2.397 1.00 88.51 C 7.631 6.565 1.424 1.00 88.51 C 7.050 5.243 0.931 1.00 88.51 C 7.894 7.451 0.201 1.00 88.51 C 6.100 9.055 5.172 1.00 90.42 N 5.106 9.512 6.142 1.00 90.42 C 5.514 10.825 6.817 1.00 90.42 C 4.656 11.642 7.156 1.00 90.42 O 4.903 8.400 7.187 1.00 90.42 C 4.424 7.053 6.627 1.00 90.42 C 4.272 6.029 7.753 1.00 90.42 C 3.071 7.241 5.942 1.00 90.42 C 6.815 11.047 6.979 1.00 89.09 N 7.360 12.201 7.682 1.00 89.09 C 6.922 13.542 7.074 1.00 89.09 C 6.968 13.778 5.864 1.00 89.09 O 8.889 12.092 7.764 1.00 89.09 C 9.364 10.983 8.710 1.00 89.09 C 8.544 10.537 9.549 1.00 89.09 O 10.564 10.646 8.621 1.00 89.09 O1- 6.478 14.452 7.946 1.00 86.84 N 6.034 15.795 7.564 1.00 86.84 C 4.683 15.852 6.839 1.00 86.84 C 4.272 16.936 6.416 1.00 86.84 O 3.970 14.730 6.696 1.00 91.06 N 2.642 14.715 6.078 1.00 91.06 C 1.578 15.167 7.077 1.00 91.06 C 1.362 14.556 8.122 1.00 91.06 O 2.316 13.347 5.446 1.00 91.06 C 3.335 13.082 4.317 1.00 91.06 C 0.873 13.344 4.906 1.00 91.06 C 3.025 11.859 3.458 1.00 91.06 C 0.844 16.220 6.706 1.00 92.76 N -0.371 16.639 7.403 1.00 92.76 C -1.583 15.922 6.809 1.00 92.76 C -2.105 16.340 5.770 1.00 92.76 O -0.497 18.164 7.360 1.00 92.76 C -1.663 18.620 8.245 1.00 92.76 C -1.915 20.115 8.068 1.00 92.76 C -3.153 20.498 8.879 1.00 92.76 C -3.967 21.487 8.144 1.00 92.76 N1+ -2.014 14.867 7.491 1.00 94.54 N -3.202 14.099 7.136 1.00 94.54 C -4.470 14.949 7.271 1.00 94.54 C -4.697 15.589 8.295 1.00 94.54 O -3.244 12.810 7.965 1.00 94.54 C -2.078 11.911 7.685 1.00 94.54 C -0.975 11.760 8.454 1.00 94.54 C -1.849 11.088 6.503 1.00 94.54 C -0.566 10.478 6.613 1.00 94.54 C -2.603 10.809 5.343 1.00 94.54 C -0.077 10.920 7.823 1.00 94.54 N -0.037 9.666 5.600 1.00 94.54 C -2.106 9.948 4.349 1.00 94.54 C -0.812 9.417 4.454 1.00 94.54 C -5.274 14.992 6.212 1.00 95.09 N -6.587 15.639 6.178 1.00 95.09 C -7.591 14.658 5.569 1.00 95.09 C -7.404 14.176 4.448 1.00 95.09 O -6.541 16.967 5.395 1.00 95.09 C -5.822 18.083 6.179 1.00 95.09 C -5.598 19.385 5.393 1.00 95.09 C -4.645 20.127 5.750 1.00 95.09 O -6.179 19.595 4.306 1.00 95.09 O1- -8.634 14.344 6.337 1.00 96.62 N -9.662 13.373 5.977 1.00 96.62 C -10.929 14.127 5.574 1.00 96.62 C -11.413 14.999 6.294 1.00 96.62 O -9.912 12.360 7.122 1.00 96.62 C -8.669 11.522 7.517 1.00 96.62 C -11.021 11.370 6.722 1.00 96.62 C -7.622 12.256 8.366 1.00 96.62 C -11.481 13.768 4.421 1.00 96.81 N -12.683 14.363 3.859 1.00 96.81 C -13.736 13.286 3.628 1.00 96.81 C -13.560 12.379 2.812 1.00 96.81 O -12.333 15.095 2.561 1.00 96.81 C -11.280 16.152 2.755 1.00 96.81 C -9.985 16.084 2.322 1.00 96.81 C -11.406 17.307 3.492 1.00 96.81 N -10.218 17.934 3.478 1.00 96.81 C -9.323 17.230 2.770 1.00 96.81 N -14.856 13.408 4.335 1.00 97.26 N -16.016 12.541 4.134 1.00 97.26 C -16.980 13.250 3.198 1.00 97.26 C -17.574 14.258 3.576 1.00 97.26 O -16.687 12.164 5.461 1.00 97.26 C -17.794 11.131 5.211 1.00 97.26 C -15.675 11.569 6.444 1.00 97.26 C -17.112 12.740 1.977 1.00 96.21 N -18.033 13.270 0.968 1.00 96.21 C -19.390 12.610 1.178 1.00 96.21 C -19.552 11.417 0.924 1.00 96.21 O -17.504 13.039 -0.461 1.00 96.21 C -18.422 13.710 -1.487 1.00 96.21 C -16.096 13.624 -0.645 1.00 96.21 C -20.361 13.365 1.680 1.00 95.75 N -21.698 12.872 1.971 1.00 95.75 C -22.647 13.034 0.782 1.00 95.75 C -23.645 13.740 0.867 1.00 95.75 O -22.219 13.501 3.261 1.00 95.75 C -23.560 12.907 3.645 1.00 95.75 C -24.515 13.727 4.011 1.00 95.75 N -23.750 11.697 3.630 1.00 95.75 O -22.348 12.320 -0.297 1.00 90.51 N -23.226 12.214 -1.457 1.00 90.51 C -23.657 10.746 -1.636 1.00 90.51 C -22.882 9.932 -2.147 1.00 90.51 O -22.524 12.789 -2.692 1.00 90.51 C -23.414 12.755 -3.940 1.00 90.51 C -24.553 12.225 -3.866 1.00 90.51 O -22.916 13.182 -5.001 1.00 90.51 O1- -24.878 10.368 -1.209 1.00 83.42 N -25.379 9.007 -1.384 1.00 83.42 C -25.697 8.669 -2.849 1.00 83.42 C -25.894 7.496 -3.161 1.00 83.42 O -26.629 8.935 -0.501 1.00 83.42 C -27.151 10.371 -0.509 1.00 83.42 C -25.874 11.207 -0.555 1.00 83.42 C -25.774 9.667 -3.739 1.00 84.28 N -26.013 9.471 -5.178 1.00 84.28 C -24.722 9.247 -5.964 1.00 84.28 C -24.763 8.699 -7.067 1.00 84.28 O -26.816 10.626 -5.797 1.00 84.28 C -28.079 10.968 -5.005 1.00 84.28 C -26.081 11.814 -5.959 1.00 84.28 O -23.572 9.614 -5.391 1.00 85.32 N -22.267 9.351 -5.973 1.00 85.32 C -21.922 7.856 -5.957 1.00 85.32 C -22.225 7.126 -5.008 1.00 85.32 O -21.200 10.158 -5.229 1.00 85.32 C -21.195 7.409 -6.982 1.00 86.26 N -20.636 6.056 -7.028 1.00 86.26 C -19.770 5.770 -5.787 1.00 86.26 C -18.973 6.634 -5.413 1.00 86.26 O -19.783 5.862 -8.284 1.00 86.26 C -20.582 5.978 -9.446 1.00 86.26 O -19.874 4.574 -5.170 1.00 89.56 N -19.012 4.158 -4.065 1.00 89.56 C -17.537 4.388 -4.388 1.00 89.56 C -17.043 3.894 -5.407 1.00 89.56 O -19.317 2.673 -3.842 1.00 89.56 C -20.772 2.554 -4.285 1.00 89.56 C -20.856 3.537 -5.450 1.00 89.56 C -16.853 5.167 -3.547 1.00 91.87 N -15.454 5.508 -3.760 1.00 91.87 C -14.704 5.864 -2.470 1.00 91.87 C -15.280 6.366 -1.503 1.00 91.87 O -15.360 6.619 -4.826 1.00 91.87 C -14.026 6.620 -5.546 1.00 91.87 C -13.802 7.561 -6.427 1.00 91.87 N -13.172 5.779 -5.345 1.00 91.87 O -13.398 5.632 -2.488 1.00 93.66 N -12.432 6.114 -1.518 1.00 93.66 C -11.069 6.206 -2.212 1.00 93.66 C -10.768 5.379 -3.064 1.00 93.66 O -12.378 5.162 -0.319 1.00 93.66 C -10.262 7.207 -1.873 1.00 93.08 N -8.900 7.327 -2.390 1.00 93.08 C -8.037 8.180 -1.466 1.00 93.08 C -8.513 9.096 -0.789 1.00 93.08 O -8.895 7.889 -3.823 1.00 93.08 C -9.668 9.179 -4.015 1.00 93.08 C -11.006 9.127 -4.444 1.00 93.08 C -9.061 10.422 -3.759 1.00 93.08 C -11.741 10.312 -4.607 1.00 93.08 C -9.801 11.609 -3.908 1.00 93.08 C -11.146 11.551 -4.319 1.00 93.08 C -6.733 7.918 -1.485 1.00 93.97 N -5.728 8.743 -0.809 1.00 93.97 C -4.851 9.401 -1.867 1.00 93.97 C -4.332 8.732 -2.754 1.00 93.97 O -4.908 7.923 0.202 1.00 93.97 C -3.957 8.838 0.989 1.00 93.97 C -5.794 7.234 1.247 1.00 93.97 C -4.673 10.718 -1.789 1.00 91.97 N -3.789 11.475 -2.674 1.00 91.97 C -2.400 11.663 -2.045 1.00 91.97 C -2.285 11.753 -0.814 1.00 91.97 O -4.394 12.848 -3.006 1.00 91.97 C -5.787 12.824 -3.653 1.00 91.97 C -6.275 14.264 -3.813 1.00 91.97 C -5.774 12.157 -5.031 1.00 91.97 C -1.351 11.842 -2.870 1.00 89.63 N -0.043 12.253 -2.377 1.00 89.63 C -0.137 13.539 -1.545 1.00 89.63 C -0.791 14.504 -1.944 1.00 89.63 O 0.835 12.441 -3.617 1.00 89.63 C 0.169 11.553 -4.668 1.00 89.63 C -1.313 11.654 -4.315 1.00 89.63 C 0.537 13.561 -0.393 1.00 89.83 N 0.502 14.691 0.544 1.00 89.83 C -0.572 14.591 1.629 1.00 89.83 C -0.850 15.584 2.298 1.00 89.83 O -1.159 13.408 1.811 1.00 92.78 N -1.972 13.084 2.980 1.00 92.78 C -3.422 13.533 2.906 1.00 92.78 C -4.010 13.853 3.933 1.00 92.78 O -4.007 13.599 1.707 1.00 94.62 N -5.422 13.962 1.534 1.00 94.62 C -6.236 12.703 1.298 1.00 94.62 C -6.033 12.035 0.288 1.00 94.62 O -5.607 15.002 0.416 1.00 94.62 C -4.656 16.203 0.511 1.00 94.62 C -4.816 16.942 1.840 1.00 94.62 C -3.791 18.062 1.944 1.00 94.62 C -3.790 18.589 3.320 1.00 94.62 N1+ -7.129 12.382 2.222 1.00 96.11 N -7.952 11.170 2.197 1.00 96.11 C -9.380 11.566 1.869 1.00 96.11 C -9.931 12.452 2.516 1.00 96.11 O -7.899 10.441 3.551 1.00 96.11 C -8.666 9.113 3.510 1.00 96.11 C -6.464 10.185 4.026 1.00 96.11 C -9.989 10.911 0.888 1.00 95.63 N -11.401 11.078 0.562 1.00 95.63 C -12.115 9.744 0.696 1.00 95.63 C -11.640 8.726 0.198 1.00 95.63 O -11.575 11.645 -0.848 1.00 95.63 C -11.190 13.105 -0.975 1.00 95.63 C -12.183 14.101 -0.987 1.00 95.63 C -9.835 13.469 -1.066 1.00 95.63 C -11.823 15.455 -1.094 1.00 95.63 C -9.475 14.821 -1.171 1.00 95.63 C -10.469 15.817 -1.189 1.00 95.63 C -13.279 9.761 1.332 1.00 96.17 N -14.179 8.613 1.413 1.00 96.17 C -15.610 9.085 1.195 1.00 96.17 C -16.048 10.077 1.778 1.00 96.17 O -13.975 7.845 2.732 1.00 96.17 C -14.863 6.582 2.777 1.00 96.17 C -14.205 8.731 3.963 1.00 96.17 C -14.519 5.612 3.915 1.00 96.17 C -16.330 8.389 0.324 1.00 95.46 N -17.706 8.718 -0.016 1.00 95.46 C -18.655 7.960 0.906 1.00 95.46 C -18.472 6.768 1.160 1.00 95.46 O -17.970 8.437 -1.501 1.00 95.46 C -17.312 9.434 -2.443 1.00 95.46 C -18.116 10.297 -3.209 1.00 95.46 C -15.909 9.540 -2.535 1.00 95.46 C -17.529 11.243 -4.068 1.00 95.46 C -15.322 10.505 -3.367 1.00 95.46 C -16.130 11.352 -4.143 1.00 95.46 C -19.701 8.621 1.400 1.00 94.95 N -20.691 7.969 2.264 1.00 94.95 C -21.363 6.773 1.575 1.00 94.95 C -21.736 5.813 2.248 1.00 94.95 O -21.729 8.974 2.768 1.00 94.95 C -22.478 9.526 1.707 1.00 94.95 O -21.417 6.771 0.238 1.00 92.75 N -21.940 5.682 -0.591 1.00 92.75 C -21.149 4.367 -0.517 1.00 92.75 C -21.726 3.319 -0.805 1.00 92.75 O -22.041 6.158 -2.044 1.00 92.75 C -20.784 6.566 -2.544 1.00 92.75 O -19.875 4.363 -0.090 1.00 93.88 N -19.112 3.112 0.110 1.00 93.88 C -19.353 2.476 1.487 1.00 93.88 C -19.177 1.270 1.658 1.00 93.88 O -17.610 3.307 -0.217 1.00 93.88 C -16.897 1.952 -0.420 1.00 93.88 C -16.856 4.171 0.815 1.00 93.88 C -15.592 2.082 -1.223 1.00 93.88 C -19.816 3.253 2.472 1.00 95.19 N -19.969 2.794 3.858 1.00 95.19 C -20.932 1.604 4.025 1.00 95.19 C -20.609 0.711 4.811 1.00 95.19 O -20.383 3.962 4.769 1.00 95.19 C -19.422 5.160 4.752 1.00 95.19 C -19.978 6.248 5.665 1.00 95.19 C -18.020 4.796 5.241 1.00 95.19 C -22.059 1.507 3.286 1.00 93.95 N -22.906 0.316 3.322 1.00 93.95 C -22.181 -0.965 2.886 1.00 93.95 C -22.473 -2.038 3.409 1.00 93.95 O -24.086 0.627 2.392 1.00 93.95 C -24.169 2.151 2.412 1.00 93.95 C -22.701 2.546 2.489 1.00 93.95 C -21.215 -0.865 1.964 1.00 93.06 N -20.387 -2.001 1.529 1.00 93.06 C -19.353 -2.339 2.609 1.00 93.06 C -19.087 -3.513 2.861 1.00 93.06 O -19.714 -1.724 0.162 1.00 93.06 C -20.764 -1.327 -0.906 1.00 93.06 C -18.919 -2.965 -0.289 1.00 93.06 C -20.175 -0.947 -2.270 1.00 93.06 C -18.807 -1.338 3.299 1.00 95.83 N -17.895 -1.548 4.423 1.00 95.83 C -18.579 -2.222 5.624 1.00 95.83 C -17.959 -3.060 6.267 1.00 95.83 O -17.288 -0.206 4.837 1.00 95.83 C -16.298 0.468 3.475 1.00 95.83 S -19.853 -1.919 5.889 1.00 95.99 N -20.713 -2.472 6.948 1.00 95.99 C -20.321 -2.159 8.411 1.00 95.99 C -21.210 -2.000 9.246 1.00 95.99 O -20.914 -3.979 6.712 1.00 95.99 C -19.035 -2.059 8.750 1.00 96.83 N -18.545 -1.769 10.103 1.00 96.83 C -17.177 -1.056 10.071 1.00 96.83 C -16.621 -0.803 9.001 1.00 96.83 O -18.520 -3.090 10.907 1.00 96.83 C -17.658 -4.159 10.260 1.00 96.83 C -18.102 -5.392 10.229 1.00 96.83 N -16.589 -3.888 9.755 1.00 96.83 O -16.644 -0.721 11.249 1.00 97.43 N -15.377 0.010 11.385 1.00 97.43 C -14.179 -0.796 10.829 1.00 97.43 C -13.322 -0.217 10.165 1.00 97.43 O -15.169 0.421 12.859 1.00 97.43 C -16.186 1.447 13.416 1.00 97.43 C -17.090 1.936 12.695 1.00 97.43 O -16.115 1.782 14.617 1.00 97.43 O1- -14.162 -2.126 11.000 1.00 97.56 N -13.143 -3.028 10.429 1.00 97.56 C -13.175 -3.027 8.884 1.00 97.56 C -12.142 -3.053 8.207 1.00 97.56 O -13.374 -4.463 10.949 1.00 97.56 C -13.121 -4.678 12.443 1.00 97.56 C -12.065 -4.221 12.924 1.00 97.56 O -13.940 -5.365 13.100 1.00 97.56 O1- -14.371 -2.942 8.297 1.00 97.24 N -14.547 -2.861 6.854 1.00 97.24 C -14.162 -1.497 6.279 1.00 97.24 C -13.566 -1.431 5.205 1.00 97.24 O -14.428 -0.407 7.011 1.00 97.75 N -13.923 0.930 6.658 1.00 97.75 C -12.392 0.919 6.699 1.00 97.75 C -11.749 1.400 5.766 1.00 97.75 O -14.506 2.019 7.592 1.00 97.75 C -16.031 2.158 7.389 1.00 97.75 C -13.826 3.381 7.350 1.00 97.75 C -16.722 3.025 8.451 1.00 97.75 C -11.812 0.327 7.747 1.00 98.02 N -10.371 0.199 7.887 1.00 98.02 C -9.745 -0.604 6.741 1.00 98.02 C -8.698 -0.209 6.244 1.00 98.02 O -10.053 -0.433 9.242 1.00 98.02 C -10.405 -1.669 6.271 1.00 97.19 N -9.956 -2.453 5.106 1.00 97.19 C -9.785 -1.567 3.870 1.00 97.19 C -8.715 -1.553 3.264 1.00 97.19 O -10.951 -3.575 4.768 1.00 97.19 C -10.492 -4.419 3.574 1.00 97.19 C -11.133 -4.452 5.859 1.00 97.19 O -10.823 -0.806 3.501 1.00 96.52 N -10.794 0.058 2.307 1.00 96.52 C -9.740 1.153 2.460 1.00 96.52 C -8.939 1.380 1.559 1.00 96.52 O -12.186 0.662 2.033 1.00 96.52 C -12.171 1.679 0.886 1.00 96.52 C -13.188 -0.441 1.664 1.00 96.52 C -9.689 1.810 3.618 1.00 97.67 N -8.731 2.886 3.861 1.00 97.67 C -7.278 2.396 3.918 1.00 97.67 C -6.389 3.082 3.415 1.00 97.67 O -9.111 3.597 5.163 1.00 97.67 C -10.393 4.446 5.087 1.00 97.67 C -10.659 5.069 6.457 1.00 97.67 C -10.301 5.580 4.061 1.00 97.67 C -7.025 1.223 4.503 1.00 97.54 N -5.696 0.622 4.545 1.00 97.54 C -5.230 0.195 3.149 1.00 97.54 C -4.056 0.369 2.833 1.00 97.54 O -5.697 -0.561 5.518 1.00 97.54 C -6.140 -0.296 2.301 1.00 96.71 N -5.866 -0.589 0.891 1.00 96.71 C -5.453 0.674 0.117 1.00 96.71 C -4.395 0.710 -0.514 1.00 96.71 O -7.107 -1.254 0.278 1.00 96.71 C -6.894 -1.625 -1.159 1.00 96.71 C -7.174 -0.841 -2.238 1.00 96.71 C -6.213 -2.759 -1.584 1.00 96.71 N -6.068 -2.617 -2.906 1.00 96.71 C -6.666 -1.495 -3.333 1.00 96.71 N -6.224 1.757 0.238 1.00 95.66 N -5.900 3.031 -0.421 1.00 95.66 C -4.597 3.652 0.096 1.00 95.66 C -3.785 4.192 -0.662 1.00 95.66 O -7.048 4.033 -0.217 1.00 95.66 C -8.337 3.669 -0.957 1.00 95.66 C -8.030 3.402 -2.429 1.00 95.66 C -8.388 2.297 -2.878 1.00 95.66 O -7.320 4.252 -3.023 1.00 95.66 O1- -4.352 3.549 1.400 1.00 96.17 N -3.105 4.003 1.995 1.00 96.17 C -1.913 3.144 1.556 1.00 96.17 C -0.842 3.684 1.275 1.00 96.17 O -3.276 4.018 3.509 1.00 96.17 C -2.083 4.528 4.285 1.00 96.17 C -1.696 3.841 5.444 1.00 96.17 C -1.384 5.689 3.896 1.00 96.17 C -0.690 4.358 6.268 1.00 96.17 C -0.312 6.151 4.680 1.00 96.17 C 0.000 5.515 5.891 1.00 96.17 C -2.100 1.834 1.388 1.00 95.68 N -1.081 0.939 0.860 1.00 95.68 C -0.661 1.310 -0.571 1.00 95.68 C 0.529 1.263 -0.880 1.00 95.68 O -1.589 -0.498 0.938 1.00 95.68 C -1.582 1.777 -1.425 1.00 94.41 N -1.213 2.335 -2.733 1.00 94.41 C -0.270 3.545 -2.623 1.00 94.41 C 0.614 3.711 -3.471 1.00 94.41 O -2.466 2.717 -3.540 1.00 94.41 C -3.122 1.545 -4.216 1.00 94.41 C -4.298 0.943 -3.858 1.00 94.41 C -2.668 0.910 -5.353 1.00 94.41 N -3.522 -0.085 -5.643 1.00 94.41 C -4.524 -0.095 -4.767 1.00 94.41 N -0.426 4.376 -1.588 1.00 93.72 N 0.451 5.524 -1.343 1.00 93.72 C 1.802 5.114 -0.764 1.00 93.72 C 2.831 5.577 -1.258 1.00 93.72 O -0.230 6.543 -0.420 1.00 93.72 C -1.465 7.164 -1.069 1.00 93.72 C -1.149 7.901 -2.365 1.00 93.72 C -1.892 7.670 -3.420 1.00 93.72 N -0.234 8.705 -2.459 1.00 93.72 O 1.814 4.209 0.217 1.00 93.85 N 3.043 3.642 0.781 1.00 93.85 C 3.873 2.935 -0.294 1.00 93.85 C 5.082 3.121 -0.389 1.00 93.85 O 2.670 2.647 1.890 1.00 93.85 C 2.082 3.301 3.149 1.00 93.85 C 1.701 2.207 4.136 1.00 93.85 C 3.092 4.233 3.810 1.00 93.85 C 3.212 2.195 -1.182 1.00 93.48 N 3.855 1.547 -2.311 1.00 93.48 C 4.110 2.490 -3.497 1.00 93.48 C 4.617 2.043 -4.521 1.00 93.48 O 3.041 0.310 -2.689 1.00 93.48 C 3.801 3.790 -3.399 1.00 93.26 N 3.998 4.797 -4.461 1.00 93.26 C 3.420 4.383 -5.826 1.00 93.26 C 3.943 4.766 -6.875 1.00 93.26 O 5.478 5.214 -4.547 1.00 93.26 C 6.051 5.746 -3.223 1.00 93.26 C 7.476 6.278 -3.425 1.00 93.26 C 7.489 7.505 -4.249 1.00 93.26 N 8.438 7.906 -5.071 1.00 93.26 C 9.579 7.279 -5.187 1.00 93.26 N1+ 8.204 8.965 -5.798 1.00 93.26 N 2.318 3.632 -5.836 1.00 92.49 N 1.655 3.178 -7.066 1.00 92.49 C 1.177 4.351 -7.928 1.00 92.49 C 1.290 4.315 -9.154 1.00 92.49 O 0.488 2.248 -6.697 1.00 92.49 C 0.926 0.935 -6.098 1.00 92.49 C 2.136 0.325 -6.292 1.00 92.49 C 0.176 0.087 -5.305 1.00 92.49 N 0.910 -1.004 -5.047 1.00 92.49 C 2.101 -0.902 -5.649 1.00 92.49 N 0.743 5.435 -7.285 1.00 87.75 N 0.385 6.696 -7.944 1.00 87.75 C 1.568 7.290 -8.710 1.00 87.75 C 1.435 7.638 -9.883 1.00 87.75 O -0.125 7.693 -6.894 1.00 87.75 C -0.686 8.954 -7.534 1.00 87.75 C -1.179 7.088 -6.189 1.00 87.75 O 2.753 7.350 -8.091 1.00 90.50 N 3.969 7.840 -8.741 1.00 90.50 C 4.392 6.950 -9.918 1.00 90.50 C 4.851 7.451 -10.947 1.00 90.50 O 5.094 7.918 -7.705 1.00 90.50 C 4.210 5.635 -9.796 1.00 91.63 N 4.479 4.696 -10.882 1.00 91.63 C 3.512 4.882 -12.059 1.00 91.63 C 3.941 4.897 -13.213 1.00 91.63 O 4.430 3.265 -10.340 1.00 91.63 C 4.954 2.297 -11.405 1.00 91.63 C 4.917 0.848 -10.950 1.00 91.63 C 4.771 -0.031 -11.831 1.00 91.63 O 4.993 0.573 -9.735 1.00 91.63 O1- 2.218 5.082 -11.804 1.00 87.83 N 1.247 5.360 -12.863 1.00 87.83 C 1.509 6.712 -13.540 1.00 87.83 C 1.548 6.781 -14.771 1.00 87.83 O -0.176 5.234 -12.299 1.00 87.83 C -0.638 3.789 -12.177 1.00 87.83 C -1.780 3.585 -11.562 1.00 87.83 N -0.009 2.852 -12.679 1.00 87.83 O 1.802 7.760 -12.764 1.00 85.93 N 2.234 9.058 -13.294 1.00 85.93 C 3.508 8.940 -14.139 1.00 85.93 C 3.636 9.607 -15.165 1.00 85.93 O 2.495 10.025 -12.131 1.00 85.93 C 1.247 10.563 -11.414 1.00 85.93 C 1.730 11.383 -10.214 1.00 85.93 C 0.412 11.453 -12.337 1.00 85.93 C 4.433 8.058 -13.754 1.00 89.42 N 5.685 7.848 -14.486 1.00 89.42 C 5.460 7.296 -15.897 1.00 89.42 C 6.259 7.566 -16.797 1.00 89.42 O 6.634 6.944 -13.693 1.00 89.42 C 7.062 7.622 -12.527 1.00 89.42 O 4.344 6.594 -16.125 1.00 84.83 N 3.951 6.076 -17.443 1.00 84.83 C 3.283 7.135 -18.330 1.00 84.83 C 3.299 6.995 -19.552 1.00 84.83 O 3.018 4.872 -17.267 1.00 84.83 C 3.588 3.708 -16.439 1.00 84.83 C 2.476 2.738 -16.009 1.00 84.83 C 3.024 1.738 -14.985 1.00 84.83 C 1.939 1.068 -14.224 1.00 84.83 N1+ 2.733 8.204 -17.750 1.00 79.55 N 1.989 9.241 -18.468 1.00 79.55 C 2.721 9.875 -19.666 1.00 79.55 C 2.157 9.884 -20.770 1.00 79.55 O 1.502 10.301 -17.470 1.00 79.55 C 3.969 10.367 -19.520 1.00 79.59 N 4.705 10.929 -20.651 1.00 79.59 C 5.067 9.866 -21.691 1.00 79.59 C 5.084 10.172 -22.879 1.00 79.59 O 5.963 11.556 -20.048 1.00 79.59 C 6.201 10.710 -18.803 1.00 79.59 C 4.782 10.455 -18.309 1.00 79.59 C 5.313 8.620 -21.270 1.00 78.70 N 5.645 7.513 -22.175 1.00 78.70 C 4.450 7.213 -23.072 1.00 78.70 C 4.594 7.190 -24.291 1.00 78.70 O 6.097 6.255 -21.396 1.00 78.70 C 7.380 6.561 -20.593 1.00 78.70 C 6.327 5.079 -22.368 1.00 78.70 C 7.820 5.429 -19.659 1.00 78.70 C 3.259 7.043 -22.493 1.00 74.57 N 2.052 6.826 -23.283 1.00 74.57 C 1.749 8.023 -24.178 1.00 74.57 C 1.503 7.825 -25.361 1.00 74.57 O 0.866 6.500 -22.377 1.00 74.57 C 0.943 5.128 -21.740 1.00 74.57 C 1.003 3.972 -22.544 1.00 74.57 C 0.916 5.003 -20.341 1.00 74.57 C 1.067 2.697 -21.949 1.00 74.57 C 0.916 3.729 -19.745 1.00 74.57 C 1.027 2.576 -20.543 1.00 74.57 C 1.094 1.356 -19.951 1.00 74.57 O 1.855 9.251 -23.664 1.00 74.62 N 1.665 10.470 -24.465 1.00 74.62 C 2.612 10.526 -25.670 1.00 74.62 C 2.178 10.794 -26.790 1.00 74.62 O 1.869 11.713 -23.597 1.00 74.62 C 0.942 11.719 -22.530 1.00 74.62 O 3.894 10.204 -25.469 1.00 76.20 N 4.893 10.144 -26.534 1.00 76.20 C 4.586 9.028 -27.541 1.00 76.20 C 4.639 9.261 -28.747 1.00 76.20 O 6.283 9.969 -25.896 1.00 76.20 C 7.440 9.890 -26.910 1.00 76.20 C 7.581 11.177 -27.725 1.00 76.20 C 8.753 9.636 -26.171 1.00 76.20 C 4.224 7.832 -27.070 1.00 73.66 N 3.831 6.714 -27.933 1.00 73.66 C 2.591 7.052 -28.770 1.00 73.66 C 2.543 6.712 -29.950 1.00 73.66 O 3.577 5.460 -27.078 1.00 73.66 C 4.843 4.804 -26.498 1.00 73.66 C 4.432 3.692 -25.531 1.00 73.66 C 5.726 4.191 -27.587 1.00 73.66 C 1.621 7.767 -28.198 1.00 71.47 N 0.452 8.266 -28.921 1.00 71.47 C 0.800 9.273 -29.993 1.00 71.47 C 0.267 9.186 -31.094 1.00 71.47 O 1.720 10.194 -29.697 1.00 71.89 N 2.228 11.135 -30.687 1.00 71.89 C 2.909 10.392 -31.845 1.00 71.89 C 2.604 10.660 -33.004 1.00 71.89 O 3.173 12.132 -29.997 1.00 71.89 C 3.768 13.184 -30.950 1.00 71.89 C 2.693 14.101 -31.540 1.00 71.89 C 4.783 14.040 -30.195 1.00 71.89 C 3.773 9.415 -31.553 1.00 73.81 N 4.418 8.588 -32.586 1.00 73.81 C 3.367 7.839 -33.408 1.00 73.81 C 3.380 7.917 -34.637 1.00 73.81 O 5.444 7.619 -31.967 1.00 73.81 C 6.015 6.640 -33.003 1.00 73.81 C 6.630 8.391 -31.375 1.00 73.81 C 2.406 7.178 -32.761 1.00 70.34 N 1.338 6.456 -33.448 1.00 70.34 C 0.505 7.385 -34.339 1.00 70.34 C 0.231 7.037 -35.489 1.00 70.34 O 0.468 5.743 -32.400 1.00 70.34 C -0.651 4.876 -33.004 1.00 70.34 C -0.099 3.743 -33.873 1.00 70.34 C -1.469 4.243 -31.881 1.00 70.34 C 0.168 8.577 -33.847 1.00 68.19 N -0.521 9.611 -34.610 1.00 68.19 C 0.283 10.024 -35.848 1.00 68.19 C -0.268 10.066 -36.944 1.00 68.19 O -0.808 10.814 -33.703 1.00 68.19 C -1.365 12.003 -34.455 1.00 68.19 C -0.566 13.141 -34.680 1.00 68.19 C -2.663 11.935 -34.992 1.00 68.19 C -1.076 14.226 -35.418 1.00 68.19 C -3.164 13.004 -35.754 1.00 68.19 C -2.383 14.161 -35.949 1.00 68.19 C -2.895 15.209 -36.644 1.00 68.19 O 1.596 10.240 -35.728 1.00 72.42 N 2.434 10.599 -36.890 1.00 72.42 C 2.542 9.485 -37.936 1.00 72.42 C 2.690 9.769 -39.124 1.00 72.42 O 3.849 11.031 -36.483 1.00 72.42 C 3.869 12.281 -35.602 1.00 72.42 C 4.575 10.003 -35.851 1.00 72.42 O 2.457 8.215 -37.522 1.00 73.07 N 2.573 7.055 -38.422 1.00 73.07 C 1.239 6.713 -39.086 1.00 73.07 C 1.208 6.402 -40.276 1.00 73.07 O 3.143 5.841 -37.659 1.00 73.07 C 3.167 4.564 -38.512 1.00 73.07 C 4.590 6.101 -37.217 1.00 73.07 C 0.145 6.749 -38.327 1.00 73.85 N -1.163 6.212 -38.746 1.00 73.85 C -2.221 7.284 -38.984 1.00 73.85 C -3.241 7.001 -39.605 1.00 73.85 O -1.701 5.202 -37.720 1.00 73.85 C -0.741 4.040 -37.468 1.00 73.85 C -1.952 5.838 -36.490 1.00 73.85 O -2.014 8.503 -38.482 1.00 66.86 N -3.054 9.529 -38.385 1.00 66.86 C -4.125 9.224 -37.331 1.00 66.86 C -5.050 10.014 -37.168 1.00 66.86 O -4.029 8.103 -36.604 1.00 62.18 N -5.008 7.738 -35.592 1.00 62.18 C -4.859 8.631 -34.355 1.00 62.18 C -3.806 8.679 -33.715 1.00 62.18 O -4.878 6.249 -35.249 1.00 62.18 C -5.940 9.311 -33.979 1.00 57.78 N -6.059 9.984 -32.689 1.00 57.78 C -6.308 8.949 -31.589 1.00 57.78 C -7.428 8.781 -31.119 1.00 57.78 O -7.169 11.041 -32.750 1.00 57.78 C -6.818 12.246 -33.578 1.00 57.78 C -7.648 12.904 -34.444 1.00 57.78 C -5.635 12.950 -33.539 1.00 57.78 N -5.755 14.007 -34.357 1.00 57.78 C -6.963 14.018 -34.933 1.00 57.78 N -5.266 8.216 -31.202 1.00 54.88 N -5.391 7.177 -30.183 1.00 54.88 C -5.295 7.717 -28.743 1.00 54.88 C -5.654 7.005 -27.812 1.00 54.88 O -4.356 6.091 -30.476 1.00 54.88 C -4.833 8.957 -28.527 1.00 53.94 N -4.621 9.504 -27.174 1.00 53.94 C -5.144 10.937 -27.091 1.00 53.94 C -4.389 11.879 -27.297 1.00 53.94 O -3.134 9.399 -26.748 1.00 53.94 C -2.586 7.981 -27.031 1.00 53.94 C -3.013 9.774 -25.255 1.00 53.94 C -1.281 7.657 -26.315 1.00 53.94 C -6.443 11.107 -26.825 1.00 47.95 N -7.071 12.434 -26.839 1.00 47.95 C -7.937 12.788 -25.617 1.00 47.95 C -8.774 13.661 -25.750 1.00 47.95 O -7.762 12.666 -28.210 1.00 47.95 C -7.142 13.796 -29.025 1.00 47.95 C -7.478 13.881 -30.291 1.00 47.95 N -6.347 14.602 -28.578 1.00 47.95 O -7.748 12.190 -24.430 1.00 50.96 N -8.408 12.685 -23.197 1.00 50.96 C -7.717 12.333 -21.860 1.00 50.96 C -8.319 12.492 -20.801 1.00 50.96 O -9.903 12.273 -23.208 1.00 50.96 C -10.819 13.344 -23.790 1.00 50.96 C -11.953 12.954 -24.322 1.00 50.96 N -10.567 14.536 -23.743 1.00 50.96 O -6.456 11.888 -21.850 1.00 51.51 N -5.783 11.520 -20.591 1.00 51.51 C -4.901 12.681 -20.116 1.00 51.51 C -3.690 12.714 -20.320 1.00 51.51 O -5.114 10.131 -20.655 1.00 51.51 C -6.108 9.072 -21.194 1.00 51.51 C -4.691 9.738 -19.232 1.00 51.51 C -5.544 7.650 -21.286 1.00 51.51 C -5.569 13.665 -19.509 1.00 56.34 N -4.969 14.663 -18.620 1.00 56.34 C -4.346 13.975 -17.393 1.00 56.34 C -4.666 12.829 -17.082 1.00 56.34 O -6.069 15.671 -18.211 1.00 56.34 C -6.097 16.934 -19.097 1.00 56.34 C -7.523 17.328 -19.474 1.00 56.34 C -5.450 18.112 -18.363 1.00 56.34 C -3.484 14.695 -16.671 1.00 59.56 N -2.822 14.224 -15.444 1.00 59.56 C -3.800 13.583 -14.438 1.00 59.56 C -3.458 12.574 -13.825 1.00 59.56 O -2.089 15.419 -14.803 1.00 59.56 C -0.866 15.915 -15.600 1.00 59.56 C -0.424 17.287 -15.093 1.00 59.56 C 0.319 14.954 -15.474 1.00 59.56 C -5.034 14.095 -14.348 1.00 62.87 N -6.094 13.534 -13.499 1.00 62.87 C -6.470 12.088 -13.878 1.00 62.87 C -6.717 11.263 -13.002 1.00 62.87 O -7.339 14.443 -13.562 1.00 62.87 C -7.200 15.772 -12.800 1.00 62.87 C -6.295 15.888 -11.938 1.00 62.87 O -8.019 16.679 -13.072 1.00 62.87 O1- -6.455 11.740 -15.169 1.00 70.32 N -6.761 10.386 -15.640 1.00 70.32 C -5.680 9.362 -15.288 1.00 70.32 C -5.997 8.201 -15.060 1.00 70.32 O -4.411 9.778 -15.188 1.00 71.62 N -3.325 8.890 -14.746 1.00 71.62 C -3.344 8.635 -13.239 1.00 71.62 C -2.947 7.556 -12.805 1.00 71.62 O -1.963 9.436 -15.190 1.00 71.62 C -1.619 9.023 -16.601 1.00 71.62 C -1.177 7.711 -16.844 1.00 71.62 C -1.777 9.918 -17.673 1.00 71.62 C -0.964 7.274 -18.160 1.00 71.62 C -1.534 9.489 -18.991 1.00 71.62 C -1.174 8.152 -19.239 1.00 71.62 C -3.830 9.598 -12.452 1.00 66.51 N -4.043 9.420 -11.014 1.00 66.51 C -5.209 8.474 -10.715 1.00 66.51 C -5.162 7.762 -9.722 1.00 66.51 O -4.304 10.787 -10.374 1.00 66.51 C -3.085 11.715 -10.405 1.00 66.51 C -3.505 13.090 -9.930 1.00 66.51 C -1.975 11.237 -9.478 1.00 66.51 C -6.225 8.449 -11.587 1.00 69.13 N -7.381 7.539 -11.515 1.00 69.13 C -7.226 6.288 -12.383 1.00 69.13 C -8.189 5.563 -12.602 1.00 69.13 O -8.664 8.299 -11.880 1.00 69.13 C -8.955 9.465 -10.931 1.00 69.13 C -10.297 10.083 -11.320 1.00 69.13 C -10.606 11.269 -10.502 1.00 69.13 N -11.730 11.957 -10.567 1.00 69.13 C -12.698 11.601 -11.366 1.00 69.13 N1+ -11.907 13.011 -9.817 1.00 69.13 N -6.040 6.047 -12.940 1.00 71.54 N -5.809 4.868 -13.771 1.00 71.54 C -5.850 3.617 -12.886 1.00 71.54 C -5.181 3.621 -11.848 1.00 71.54 O -4.475 5.003 -14.517 1.00 71.54 C -4.209 3.832 -15.470 1.00 71.54 C -2.796 4.059 -16.587 1.00 71.54 S -3.518 5.291 -17.704 1.00 71.54 C -6.564 2.546 -13.291 1.00 76.75 N -6.600 1.308 -12.523 1.00 76.75 C -5.188 0.811 -12.251 1.00 76.75 C -4.323 0.820 -13.141 1.00 76.75 O -7.400 0.301 -13.355 1.00 76.75 C -7.333 0.866 -14.773 1.00 76.75 C -7.316 2.372 -14.525 1.00 76.75 C -4.942 0.376 -11.019 1.00 79.50 N -3.647 -0.185 -10.699 1.00 79.50 C -3.468 -1.513 -11.447 1.00 79.50 C -4.414 -2.227 -11.796 1.00 79.50 O -3.443 -0.283 -9.188 1.00 79.50 C -2.216 -1.857 -11.742 1.00 84.57 N -1.941 -3.166 -12.332 1.00 84.57 C -2.344 -4.276 -11.353 1.00 84.57 C -2.305 -4.090 -10.141 1.00 84.57 O -0.478 -3.286 -12.754 1.00 84.57 C 0.360 -3.462 -11.634 1.00 84.57 O -2.646 -5.480 -11.853 1.00 87.24 N -2.990 -6.630 -10.988 1.00 87.24 C -1.935 -6.913 -9.905 1.00 87.24 C -2.277 -7.412 -8.837 1.00 87.24 O -3.196 -7.890 -11.840 1.00 87.24 C -4.402 -7.793 -12.784 1.00 87.24 C -4.541 -9.097 -13.578 1.00 87.24 C -5.696 -9.057 -14.492 1.00 87.24 N -6.116 -10.034 -15.278 1.00 87.24 C -5.498 -11.182 -15.347 1.00 87.24 N1+ -7.176 -9.875 -16.018 1.00 87.24 N -0.665 -6.621 -10.194 1.00 88.75 N 0.431 -6.741 -9.228 1.00 88.75 C 0.341 -5.662 -8.142 1.00 88.75 C 0.422 -6.004 -6.971 1.00 88.75 O 1.781 -6.671 -9.955 1.00 88.75 C 2.047 -7.928 -10.800 1.00 88.75 C 3.338 -7.847 -11.612 1.00 88.75 C 3.735 -8.916 -12.267 1.00 88.75 N 4.000 -6.832 -11.720 1.00 88.75 O 0.073 -4.407 -8.518 1.00 92.38 N -0.139 -3.305 -7.568 1.00 92.38 C -1.331 -3.557 -6.643 1.00 92.38 C -1.234 -3.286 -5.456 1.00 92.38 O -0.414 -2.001 -8.317 1.00 92.38 C 0.787 -1.456 -9.077 1.00 92.38 C 0.285 -0.164 -10.242 1.00 92.38 S 1.912 0.452 -10.663 1.00 92.38 C -2.435 -4.102 -7.162 1.00 92.69 N -3.587 -4.484 -6.330 1.00 92.69 C -3.211 -5.572 -5.320 1.00 92.69 C -3.569 -5.482 -4.156 1.00 92.69 O -4.733 -5.006 -7.212 1.00 92.69 C -5.365 -3.943 -8.115 1.00 92.69 C -5.963 -2.783 -7.313 1.00 92.69 C -5.607 -1.631 -7.613 1.00 92.69 O -6.786 -3.038 -6.407 1.00 92.69 O1- -2.434 -6.575 -5.746 1.00 92.90 N -1.960 -7.653 -4.859 1.00 92.90 C -1.002 -7.115 -3.786 1.00 92.90 C -1.062 -7.543 -2.637 1.00 92.90 O -1.261 -8.751 -5.683 1.00 92.90 C -0.819 -9.967 -4.873 1.00 92.90 C -2.115 -9.265 -6.691 1.00 92.90 O -0.122 -6.179 -4.154 1.00 93.66 N 0.781 -5.472 -3.235 1.00 93.66 C -0.012 -4.645 -2.214 1.00 93.66 C 0.243 -4.745 -1.015 1.00 93.66 O 1.741 -4.571 -4.047 1.00 93.66 C 2.862 -5.371 -4.731 1.00 93.66 C 3.562 -4.679 -5.922 1.00 93.66 C 4.196 -5.414 -6.712 1.00 93.66 O 3.492 -3.458 -6.171 1.00 93.66 O1- -1.002 -3.879 -2.680 1.00 95.30 N -1.853 -3.053 -1.833 1.00 95.30 C -2.733 -3.893 -0.893 1.00 95.30 C -2.790 -3.581 0.293 1.00 95.30 O -2.672 -2.114 -2.722 1.00 95.30 C -3.312 -5.001 -1.373 1.00 95.49 N -4.063 -5.949 -0.540 1.00 95.49 C -3.190 -6.500 0.592 1.00 95.49 C -3.611 -6.539 1.746 1.00 95.49 O -4.545 -7.158 -1.366 1.00 95.49 C -5.739 -6.913 -2.277 1.00 95.49 C -6.574 -6.047 -1.963 1.00 95.49 O -5.903 -7.673 -3.264 1.00 95.49 O1- -1.964 -6.932 0.274 1.00 95.79 N -1.057 -7.499 1.268 1.00 95.79 C -0.643 -6.450 2.304 1.00 95.79 C -0.804 -6.677 3.501 1.00 95.79 O 0.166 -8.114 0.577 1.00 95.79 C 1.183 -8.678 1.549 1.00 95.79 C 2.187 -7.837 2.058 1.00 95.79 C 1.114 -10.020 1.970 1.00 95.79 C 3.149 -8.338 2.947 1.00 95.79 C 2.070 -10.532 2.871 1.00 95.79 C 3.096 -9.687 3.346 1.00 95.79 C 4.065 -10.135 4.183 1.00 95.79 O -0.128 -5.300 1.855 1.00 95.75 N 0.339 -4.223 2.741 1.00 95.75 C -0.825 -3.708 3.594 1.00 95.75 C -0.698 -3.612 4.813 1.00 95.75 O 0.989 -3.097 1.904 1.00 95.75 C 2.302 -3.568 1.244 1.00 95.75 C 1.260 -1.839 2.752 1.00 95.75 C 2.818 -2.626 0.146 1.00 95.75 C -1.976 -3.440 2.972 1.00 96.68 N -3.182 -2.974 3.647 1.00 96.68 C -3.657 -3.959 4.711 1.00 96.68 C -3.901 -3.547 5.844 1.00 96.68 O -3.691 -5.261 4.394 1.00 96.92 N -4.056 -6.314 5.343 1.00 96.92 C -3.101 -6.357 6.545 1.00 96.92 C -3.560 -6.422 7.684 1.00 96.92 O -4.117 -7.668 4.614 1.00 96.92 C -4.575 -8.845 5.496 1.00 96.92 C -5.996 -8.652 6.020 1.00 96.92 C -4.525 -10.144 4.688 1.00 96.92 C -1.783 -6.292 6.327 1.00 96.06 N -0.813 -6.301 7.432 1.00 96.06 C -0.942 -5.046 8.312 1.00 96.06 C -0.933 -5.150 9.540 1.00 96.06 O 0.629 -6.419 6.910 1.00 96.06 C 0.969 -7.685 6.106 1.00 96.06 C 0.631 -9.306 6.853 1.00 96.06 S -0.846 -9.786 5.925 1.00 96.06 C -1.110 -3.865 7.706 1.00 95.98 N -1.230 -2.597 8.440 1.00 95.98 C -2.534 -2.544 9.234 1.00 95.98 C -2.497 -2.194 10.411 1.00 95.98 O -1.087 -1.384 7.498 1.00 95.98 C 0.356 -1.323 6.950 1.00 95.98 C -1.405 -0.063 8.229 1.00 95.98 C 0.535 -0.270 5.858 1.00 95.98 C -3.677 -2.918 8.645 1.00 96.22 N -4.948 -2.919 9.382 1.00 96.22 C -4.920 -3.908 10.555 1.00 96.22 C -5.447 -3.600 11.622 1.00 96.22 O -6.151 -3.169 8.458 1.00 96.22 C -6.250 -4.610 7.944 1.00 96.22 C -7.721 -4.994 6.965 1.00 96.22 S -8.953 -5.025 8.298 1.00 96.22 C -4.237 -5.048 10.385 1.00 95.98 N -4.036 -6.033 11.454 1.00 95.98 C -3.252 -5.421 12.614 1.00 95.98 C -3.662 -5.526 13.766 1.00 95.98 O -3.279 -7.260 10.938 1.00 95.98 C -3.938 -7.840 9.833 1.00 95.98 O -2.167 -4.697 12.308 1.00 95.32 N -1.359 -3.972 13.302 1.00 95.32 C -2.088 -2.781 13.928 1.00 95.32 C -1.808 -2.412 15.062 1.00 95.32 O -0.032 -3.570 12.648 1.00 95.32 C 0.938 -2.901 13.636 1.00 95.32 C 2.331 -2.689 13.037 1.00 95.32 C 3.057 -3.962 12.860 1.00 95.32 N 3.231 -4.611 11.724 1.00 95.32 C 2.624 -4.251 10.632 1.00 95.32 N1+ 4.029 -5.636 11.661 1.00 95.32 N -3.040 -2.193 13.209 1.00 95.74 N -3.927 -1.141 13.702 1.00 95.74 C -5.094 -1.675 14.554 1.00 95.74 C -5.964 -0.895 14.948 1.00 95.74 O -4.408 -0.316 12.505 1.00 95.74 C -5.103 -2.979 14.859 1.00 95.37 N -6.115 -3.649 15.668 1.00 95.37 C -7.510 -3.690 15.035 1.00 95.37 C -8.513 -3.643 15.748 1.00 95.37 O -6.099 -3.087 17.095 1.00 95.37 C -4.473 -3.154 17.873 1.00 95.37 S -7.572 -3.820 13.707 1.00 96.58 N -8.798 -4.145 12.975 1.00 96.58 C -8.803 -5.611 12.544 1.00 96.58 C -7.757 -6.170 12.211 1.00 96.58 O -8.960 -3.218 11.770 1.00 96.58 C -9.088 -1.762 12.156 1.00 96.58 C -10.286 -1.286 12.718 1.00 96.58 C -8.009 -0.883 11.966 1.00 96.58 C -10.407 0.064 13.086 1.00 96.58 C -8.124 0.468 12.337 1.00 96.58 C -9.321 0.937 12.904 1.00 96.58 C -9.982 -6.235 12.539 1.00 95.76 N -10.116 -7.675 12.297 1.00 95.76 C -9.693 -8.066 10.870 1.00 95.76 C -10.381 -7.698 9.909 1.00 95.76 O -11.549 -8.144 12.560 1.00 95.76 C -11.853 -8.160 14.059 1.00 95.76 C -13.261 -8.668 14.327 1.00 95.76 C -14.111 -7.846 14.891 1.00 95.76 N -13.638 -9.788 14.011 1.00 95.76 O -8.635 -8.883 10.695 1.00 95.90 N -8.141 -9.250 9.368 1.00 95.90 C -9.172 -10.017 8.531 1.00 95.90 C -9.224 -9.869 7.313 1.00 95.90 O -6.893 -10.102 9.620 1.00 95.90 C -6.432 -9.681 11.013 1.00 95.90 C -7.738 -9.394 11.728 1.00 95.90 C -10.033 -10.812 9.172 1.00 95.50 N -11.093 -11.592 8.525 1.00 95.50 C -12.144 -10.708 7.852 1.00 95.50 C -12.800 -11.152 6.909 1.00 95.50 O -11.822 -12.492 9.542 1.00 95.50 C -10.962 -13.582 10.202 1.00 95.50 C -10.070 -13.082 11.335 1.00 95.50 C -9.276 -13.946 11.917 1.00 95.50 N -10.062 -11.919 11.699 1.00 95.50 O -12.330 -9.472 8.323 1.00 96.32 N -13.310 -8.568 7.730 1.00 96.32 C -12.909 -8.152 6.314 1.00 96.32 C -13.791 -7.951 5.480 1.00 96.32 O -13.535 -7.352 8.637 1.00 96.32 C -14.783 -6.557 8.224 1.00 96.32 C -16.088 -7.370 8.272 1.00 96.32 C -17.032 -7.023 7.523 1.00 96.32 O -16.204 -8.374 9.022 1.00 96.32 O1- -11.605 -8.135 6.008 1.00 94.86 N -11.110 -7.814 4.668 1.00 94.86 C -11.747 -8.705 3.600 1.00 94.86 C -12.338 -8.206 2.643 1.00 94.86 O -9.579 -7.887 4.608 1.00 94.86 C -9.121 -9.216 4.788 1.00 94.86 O -11.749 -10.025 3.813 1.00 95.27 N -12.382 -10.995 2.912 1.00 95.27 C -13.861 -10.666 2.717 1.00 95.27 C -14.330 -10.609 1.581 1.00 95.27 O -12.191 -12.432 3.442 1.00 95.27 C -10.690 -12.788 3.363 1.00 95.27 C -13.074 -13.429 2.664 1.00 95.27 C -10.387 -14.214 3.812 1.00 95.27 C -14.584 -10.387 3.806 1.00 95.59 N -16.018 -10.094 3.733 1.00 95.59 C -16.300 -8.796 2.977 1.00 95.59 C -17.280 -8.742 2.239 1.00 95.59 O -16.645 -10.021 5.123 1.00 95.59 C -16.397 -11.239 6.018 1.00 95.59 C -17.244 -11.080 7.286 1.00 95.59 C -16.624 -11.813 8.475 1.00 95.59 C -16.822 -11.017 9.710 1.00 95.59 N1+ -15.466 -7.761 3.120 1.00 94.38 N -15.582 -6.519 2.331 1.00 94.38 C -15.459 -6.827 0.844 1.00 94.38 C -16.316 -6.415 0.064 1.00 94.38 O -14.517 -5.478 2.731 1.00 94.38 C -14.502 -4.257 1.800 1.00 94.38 C -14.758 -4.939 4.138 1.00 94.38 C -14.442 -7.592 0.443 1.00 91.61 N -14.228 -7.938 -0.963 1.00 91.61 C -15.324 -8.849 -1.526 1.00 91.61 C -15.724 -8.684 -2.680 1.00 91.61 O -12.834 -8.544 -1.123 1.00 91.61 C -11.731 -7.549 -0.933 1.00 91.61 C -10.874 -7.494 0.108 1.00 91.61 C -11.373 -6.415 -1.779 1.00 91.61 C -10.257 -5.745 -1.191 1.00 91.61 C -11.894 -5.874 -2.975 1.00 91.61 C -9.964 -6.477 -0.071 1.00 91.61 N -9.700 -4.588 -1.739 1.00 91.61 C -11.347 -4.701 -3.531 1.00 91.61 C -10.270 -4.049 -2.903 1.00 91.61 C -15.878 -9.755 -0.719 1.00 93.10 N -17.070 -10.532 -1.074 1.00 93.10 C -18.304 -9.640 -1.255 1.00 93.10 C -19.022 -9.775 -2.250 1.00 93.10 O -17.368 -11.571 0.012 1.00 93.10 C -16.387 -12.749 0.000 1.00 93.10 C -16.640 -13.732 1.153 1.00 93.10 C -16.074 -14.844 1.072 1.00 93.10 O -17.413 -13.391 2.079 1.00 93.10 O1- -18.548 -8.699 -0.331 1.00 93.13 N -19.647 -7.725 -0.438 1.00 93.13 C -19.496 -6.859 -1.683 1.00 93.13 C -20.475 -6.677 -2.401 1.00 93.13 O -19.737 -6.854 0.827 1.00 93.13 C -20.340 -7.623 2.014 1.00 93.13 C -20.590 -6.727 3.234 1.00 93.13 C -19.367 -6.089 3.749 1.00 93.13 N -18.619 -6.452 4.770 1.00 93.13 C -18.756 -7.572 5.403 1.00 93.13 N1+ -17.705 -5.678 5.250 1.00 93.13 N -18.281 -6.411 -1.985 1.00 88.83 N -17.970 -5.627 -3.178 1.00 88.83 C -18.232 -6.428 -4.466 1.00 88.83 C -18.947 -5.959 -5.350 1.00 88.83 O -16.512 -5.156 -3.075 1.00 88.83 C -16.225 -4.022 -4.053 1.00 88.83 C -16.913 -2.403 -3.623 1.00 88.83 S -15.775 -1.922 -2.294 1.00 88.83 C -17.750 -7.674 -4.545 1.00 87.22 N -17.998 -8.560 -5.686 1.00 87.22 C -19.493 -8.891 -5.864 1.00 87.22 C -19.991 -9.019 -6.985 1.00 87.22 O -17.184 -9.844 -5.481 1.00 87.22 C -20.234 -9.041 -4.764 1.00 87.96 N -21.676 -9.272 -4.802 1.00 87.96 C -22.438 -8.028 -5.267 1.00 87.96 C -23.342 -8.152 -6.093 1.00 87.96 O -22.147 -9.751 -3.422 1.00 87.96 C -21.745 -11.188 -3.137 1.00 87.96 C -21.667 -11.557 -1.881 1.00 87.96 N -21.552 -12.002 -4.033 1.00 87.96 O -22.057 -6.847 -4.784 1.00 83.98 N -22.629 -5.575 -5.212 1.00 83.98 C -22.391 -5.339 -6.714 1.00 83.98 C -23.320 -4.999 -7.444 1.00 83.98 O -22.038 -4.470 -4.330 1.00 83.98 C -22.689 -3.121 -4.523 1.00 83.98 C -22.245 -2.283 -5.554 1.00 83.98 C -23.729 -2.696 -3.679 1.00 83.98 C -22.799 -1.003 -5.725 1.00 83.98 C -24.297 -1.421 -3.854 1.00 83.98 C -23.820 -0.568 -4.865 1.00 83.98 C -21.194 -5.649 -7.219 1.00 78.52 N -20.876 -5.612 -8.653 1.00 78.52 C -21.765 -6.532 -9.488 1.00 78.52 C -22.342 -6.114 -10.493 1.00 78.52 O -19.403 -5.998 -8.844 1.00 78.52 C -18.890 -5.591 -10.231 1.00 78.52 C -17.504 -6.158 -10.564 1.00 78.52 C -17.149 -6.073 -11.760 1.00 78.52 O -16.852 -6.736 -9.664 1.00 78.52 O1- -21.941 -7.783 -9.051 1.00 81.13 N -22.831 -8.739 -9.725 1.00 81.13 C -24.283 -8.266 -9.747 1.00 81.13 C -24.993 -8.561 -10.707 1.00 81.13 O -22.747 -10.102 -9.034 1.00 81.13 C -21.442 -10.839 -9.351 1.00 81.13 C -21.349 -12.089 -8.473 1.00 81.13 C -20.013 -12.798 -8.691 1.00 81.13 C -19.846 -13.914 -7.728 1.00 81.13 N1+ -24.739 -7.578 -8.701 1.00 80.93 N -26.089 -7.014 -8.647 1.00 80.93 C -26.235 -5.847 -9.631 1.00 80.93 C -27.195 -5.824 -10.399 1.00 80.93 O -26.429 -6.598 -7.209 1.00 80.93 C -26.631 -7.811 -6.286 1.00 80.93 C -26.807 -7.411 -4.823 1.00 80.93 C -26.526 -8.289 -3.886 1.00 80.93 N -27.226 -6.321 -4.485 1.00 80.93 O -25.251 -4.948 -9.691 1.00 73.53 N -25.268 -3.784 -10.584 1.00 73.53 C -25.105 -4.148 -12.067 1.00 73.53 C -25.804 -3.604 -12.924 1.00 73.53 O -24.179 -2.800 -10.137 1.00 73.53 C -24.520 -2.109 -8.811 1.00 73.53 C -26.062 -1.154 -8.876 1.00 73.53 S -25.666 0.191 -7.740 1.00 73.53 C -24.271 -5.142 -12.388 1.00 69.28 N -24.082 -5.622 -13.763 1.00 69.28 C -25.340 -6.278 -14.361 1.00 69.28 C -25.439 -6.417 -15.579 1.00 69.28 O -22.866 -6.569 -13.800 1.00 69.28 C -21.539 -5.824 -13.772 1.00 69.28 C -20.466 -6.482 -13.400 1.00 69.28 N -21.447 -4.664 -14.128 1.00 69.28 O -26.325 -6.656 -13.535 1.00 61.74 N -27.620 -7.182 -13.998 1.00 61.74 C -28.630 -6.088 -14.373 1.00 61.74 C -29.617 -6.413 -15.024 1.00 61.74 O -28.187 -8.142 -12.940 1.00 61.74 C -27.409 -9.465 -12.905 1.00 61.74 C -27.891 -10.335 -11.742 1.00 61.74 C -27.297 -11.685 -11.801 1.00 61.74 N -27.131 -12.513 -10.785 1.00 61.74 C -27.457 -12.183 -9.566 1.00 61.74 N1+ -26.638 -13.704 -10.981 1.00 61.74 N -28.398 -4.829 -13.983 1.00 56.84 N -29.364 -3.725 -14.110 1.00 56.84 C -28.985 -2.593 -15.073 1.00 56.84 C -29.816 -1.729 -15.331 1.00 56.84 O -27.776 -2.606 -15.640 1.00 49.56 N -27.308 -1.585 -16.581 1.00 49.56 C -26.388 -0.540 -15.940 1.00 49.56 C -26.749 0.120 -14.978 1.00 49.56 O -25.184 -0.428 -16.514 1.00 51.63 N -24.190 0.667 -16.455 1.00 51.63 C -24.153 1.511 -15.168 1.00 51.63 C -24.153 2.738 -15.229 1.00 51.63 O -24.237 1.561 -17.724 1.00 51.63 C -22.871 2.222 -17.988 1.00 51.63 C -24.581 0.779 -19.003 1.00 51.63 C -24.044 0.887 -13.995 1.00 53.05 N -23.565 1.615 -12.812 1.00 53.05 C -22.054 1.449 -12.742 1.00 53.05 C -21.541 0.403 -12.350 1.00 53.05 O -24.289 1.241 -11.511 1.00 53.05 C -23.823 2.188 -10.395 1.00 53.05 C -25.807 1.392 -11.669 1.00 53.05 C -21.342 2.486 -13.182 1.00 58.06 N -19.895 2.573 -13.062 1.00 58.06 C -19.538 2.872 -11.599 1.00 58.06 C -19.709 3.994 -11.117 1.00 58.06 O -19.372 3.631 -14.051 1.00 58.06 C -17.855 3.717 -14.069 1.00 58.06 C -17.290 4.552 -14.904 1.00 58.06 N -17.156 3.034 -13.346 1.00 58.06 O -19.080 1.851 -10.881 1.00 65.68 N -18.459 2.037 -9.577 1.00 65.68 C -17.042 2.537 -9.785 1.00 65.68 C -16.183 1.761 -10.193 1.00 65.68 O -18.422 0.718 -8.818 1.00 65.68 C -19.766 0.396 -8.189 1.00 65.68 C -19.633 -1.126 -7.255 1.00 65.68 S -19.978 -2.283 -8.592 1.00 65.68 C -16.794 3.804 -9.468 1.00 74.28 N -15.461 4.389 -9.619 1.00 74.28 C -14.411 3.561 -8.855 1.00 74.28 C -13.379 3.239 -9.435 1.00 74.28 O -15.501 5.855 -9.164 1.00 74.28 C -14.253 6.665 -9.564 1.00 74.28 C -14.122 6.989 -11.065 1.00 74.28 C -13.103 7.632 -11.423 1.00 74.28 O -15.067 6.707 -11.836 1.00 74.28 O1- -14.722 3.092 -7.634 1.00 77.35 N -13.808 2.237 -6.864 1.00 77.35 C -13.493 0.903 -7.543 1.00 77.35 C -12.342 0.497 -7.578 1.00 77.35 O -14.389 1.945 -5.477 1.00 77.35 C -13.385 1.324 -4.529 1.00 77.35 C -13.336 -0.073 -4.350 1.00 77.35 C -12.460 2.147 -3.862 1.00 77.35 C -12.361 -0.642 -3.510 1.00 77.35 C -11.501 1.577 -3.011 1.00 77.35 C -11.441 0.184 -2.842 1.00 77.35 C -14.485 0.190 -8.090 1.00 70.64 N -14.227 -1.098 -8.752 1.00 70.64 C -13.643 -0.943 -10.154 1.00 70.64 C -12.949 -1.839 -10.634 1.00 70.64 O -15.498 -1.950 -8.812 1.00 70.64 C -15.861 -2.650 -7.495 1.00 70.64 C -17.024 -3.593 -7.767 1.00 70.64 C -14.696 -3.496 -6.981 1.00 70.64 C -13.890 0.193 -10.798 1.00 75.72 N -13.237 0.554 -12.050 1.00 75.72 C -11.739 0.774 -11.857 1.00 75.72 C -10.965 0.460 -12.764 1.00 75.72 O -13.906 1.795 -12.636 1.00 75.72 C -15.132 1.385 -13.204 1.00 75.72 O -11.312 1.248 -10.682 1.00 76.15 N -9.892 1.376 -10.328 1.00 76.15 C -9.326 0.137 -9.621 1.00 76.15 C -8.172 -0.213 -9.874 1.00 76.15 O -9.632 2.658 -9.524 1.00 76.15 C -9.984 3.894 -10.353 1.00 76.15 C -10.415 2.714 -8.363 1.00 76.15 O -10.145 -0.571 -8.835 1.00 80.79 N -9.786 -1.723 -7.996 1.00 80.79 C -10.758 -2.898 -8.201 1.00 80.79 C -11.589 -3.184 -7.335 1.00 80.79 O -9.762 -1.308 -6.514 1.00 80.79 C -8.912 -0.103 -6.269 1.00 80.79 C -9.374 1.165 -6.066 1.00 80.79 C -7.546 -0.032 -6.387 1.00 80.79 N -7.196 1.255 -6.267 1.00 80.79 C -8.284 2.032 -6.158 1.00 80.79 N -10.684 -3.634 -9.323 1.00 80.37 N -11.623 -4.716 -9.591 1.00 80.37 C -11.536 -5.803 -8.511 1.00 80.37 C -10.452 -6.316 -8.190 1.00 80.37 O -11.275 -5.226 -10.991 1.00 80.37 C -9.808 -4.823 -11.164 1.00 80.37 C -9.712 -3.508 -10.393 1.00 80.37 C -12.690 -6.188 -7.966 1.00 76.28 N -12.788 -7.341 -7.088 1.00 76.28 C -12.562 -8.605 -7.927 1.00 76.28 C -13.103 -8.768 -9.019 1.00 76.28 O -14.136 -7.336 -6.359 1.00 76.28 C -11.732 -9.524 -7.442 1.00 79.25 N -11.524 -10.799 -8.129 1.00 79.25 C -11.408 -11.931 -7.129 1.00 79.25 C -10.869 -11.751 -6.038 1.00 79.25 O -10.315 -10.742 -9.072 1.00 79.25 C -9.094 -10.697 -8.365 1.00 79.25 O -11.854 -13.122 -7.526 1.00 85.25 N -11.720 -14.340 -6.715 1.00 85.25 C -10.271 -14.565 -6.284 1.00 85.25 C -10.011 -14.926 -5.143 1.00 85.25 O -12.208 -15.562 -7.507 1.00 85.25 C -12.483 -16.759 -6.608 1.00 85.25 C -13.412 -15.261 -8.181 1.00 85.25 O -9.308 -14.227 -7.154 1.00 88.56 N -7.875 -14.313 -6.856 1.00 88.56 C -7.449 -13.436 -5.672 1.00 88.56 C -6.587 -13.855 -4.909 1.00 88.56 O -7.082 -13.963 -8.121 1.00 88.56 C -5.575 -14.122 -7.889 1.00 88.56 C -4.795 -13.848 -9.172 1.00 88.56 C -3.348 -13.916 -8.912 1.00 88.56 N -2.379 -13.714 -9.783 1.00 88.56 C -2.631 -13.467 -11.039 1.00 88.56 N1+ -1.132 -13.771 -9.408 1.00 88.56 N -8.013 -12.232 -5.514 1.00 91.09 N -7.705 -11.360 -4.364 1.00 91.09 C -8.181 -12.008 -3.068 1.00 91.09 C -7.397 -12.130 -2.135 1.00 91.09 O -8.313 -9.959 -4.533 1.00 91.09 C -7.631 -9.165 -5.656 1.00 91.09 C -8.333 -7.825 -5.898 1.00 91.09 C -8.038 -6.863 -4.834 1.00 91.09 N -8.153 -5.558 -4.938 1.00 91.09 C -8.755 -4.968 -5.927 1.00 91.09 N1+ -7.590 -4.783 -4.085 1.00 91.09 N -9.413 -12.523 -3.059 1.00 90.96 N -9.994 -13.257 -1.920 1.00 90.96 C -9.150 -14.492 -1.566 1.00 90.96 C -8.821 -14.706 -0.399 1.00 90.96 O -11.473 -13.609 -2.209 1.00 90.96 C -12.319 -12.316 -2.324 1.00 90.96 C -12.018 -14.528 -1.102 1.00 90.96 C -13.731 -12.538 -2.882 1.00 90.96 C -8.730 -15.271 -2.565 1.00 93.50 N -7.837 -16.421 -2.374 1.00 93.50 C -6.473 -16.015 -1.797 1.00 93.50 C -5.950 -16.692 -0.913 1.00 93.50 O -7.591 -17.118 -3.717 1.00 93.50 C -8.785 -17.924 -4.244 1.00 93.50 C -8.554 -18.397 -5.691 1.00 93.50 C -9.549 -18.786 -6.340 1.00 93.50 O -7.389 -18.345 -6.162 1.00 93.50 O1- -5.887 -14.918 -2.284 1.00 93.73 N -4.619 -14.402 -1.773 1.00 93.73 C -4.748 -13.953 -0.312 1.00 93.73 C -3.959 -14.390 0.521 1.00 93.73 O -4.140 -13.242 -2.653 1.00 93.73 C -3.569 -13.635 -4.001 1.00 93.73 C -3.371 -12.645 -4.843 1.00 93.73 N -3.228 -14.772 -4.308 1.00 93.73 O -5.769 -13.157 0.020 1.00 93.27 N -6.019 -12.729 1.399 1.00 93.27 C -6.243 -13.920 2.326 1.00 93.27 C -5.650 -13.967 3.397 1.00 93.27 O -7.230 -11.799 1.465 1.00 93.27 C -6.903 -10.407 0.926 1.00 93.27 C -8.339 -9.322 1.012 1.00 93.27 S -9.206 -9.898 -0.468 1.00 93.27 C -6.998 -14.931 1.885 1.00 94.70 N -7.201 -16.172 2.647 1.00 94.70 C -5.880 -16.875 2.979 1.00 94.70 C -5.720 -17.398 4.078 1.00 94.70 O -8.092 -17.146 1.872 1.00 94.70 C -9.348 -16.574 1.576 1.00 94.70 O -4.905 -16.852 2.059 1.00 96.44 N -3.557 -17.401 2.290 1.00 96.44 C -2.726 -16.552 3.251 1.00 96.44 C -1.866 -17.095 3.938 1.00 96.44 O -2.805 -17.542 0.960 1.00 96.44 C -3.390 -18.642 0.068 1.00 96.44 C -2.777 -18.558 -1.333 1.00 96.44 C -3.446 -19.598 -2.232 1.00 96.44 C -3.030 -19.435 -3.644 1.00 96.44 N1+ -2.947 -15.241 3.291 1.00 96.14 N -2.213 -14.317 4.161 1.00 96.14 C -2.844 -14.146 5.543 1.00 96.14 C -2.158 -13.687 6.455 1.00 96.14 O -2.076 -12.969 3.458 1.00 96.14 C -1.457 -13.000 2.096 1.00 96.14 C -0.493 -13.844 1.658 1.00 96.14 C -1.752 -12.118 0.979 1.00 96.14 C -0.904 -12.468 -0.114 1.00 96.14 C -2.618 -11.021 0.807 1.00 96.14 C -0.168 -13.538 0.351 1.00 96.14 N -0.895 -11.747 -1.316 1.00 96.14 C -2.626 -10.301 -0.396 1.00 96.14 C -1.761 -10.647 -1.444 1.00 96.14 C -4.106 -14.553 5.721 1.00 95.63 N -4.828 -14.464 6.990 1.00 95.63 C -4.052 -15.015 8.194 1.00 95.63 C -4.052 -14.330 9.211 1.00 95.63 O -6.188 -15.180 6.909 1.00 95.63 C -7.373 -14.388 6.339 1.00 95.63 C -8.612 -15.268 6.516 1.00 95.63 C -7.624 -13.058 7.052 1.00 95.63 C -3.373 -16.182 8.139 1.00 96.72 N -2.611 -16.671 9.289 1.00 96.72 C -1.553 -15.670 9.767 1.00 96.72 C -1.468 -15.387 10.956 1.00 96.72 O -1.986 -17.994 8.835 1.00 96.72 C -2.953 -18.486 7.760 1.00 96.72 C -3.379 -17.187 7.083 1.00 96.72 C -0.818 -15.063 8.829 1.00 95.52 N 0.183 -14.033 9.129 1.00 95.52 C -0.459 -12.735 9.624 1.00 95.52 C 0.056 -12.096 10.532 1.00 95.52 O 1.032 -13.800 7.874 1.00 95.52 C 2.152 -12.795 8.152 1.00 95.52 C 3.070 -12.656 6.940 1.00 95.52 C 4.185 -11.683 7.316 1.00 95.52 C 5.227 -11.638 6.270 1.00 95.52 N1+ -1.582 -12.343 9.030 1.00 95.62 N -2.330 -11.165 9.452 1.00 95.62 C -2.842 -11.313 10.899 1.00 95.62 C -2.696 -10.401 11.707 1.00 95.62 O -3.468 -10.964 8.448 1.00 95.62 C -3.361 -12.494 11.249 1.00 94.71 N -3.801 -12.822 12.605 1.00 94.71 C -2.638 -12.840 13.598 1.00 94.71 C -2.778 -12.291 14.682 1.00 94.71 O -4.521 -14.175 12.598 1.00 94.71 C -5.850 -14.121 11.880 1.00 94.71 C -6.248 -15.196 11.243 1.00 94.71 N -6.569 -13.136 11.878 1.00 94.71 O -1.483 -13.387 13.213 1.00 93.91 N -0.274 -13.333 14.040 1.00 93.91 C 0.117 -11.878 14.364 1.00 93.91 C 0.351 -11.542 15.522 1.00 93.91 O 0.851 -14.083 13.308 1.00 93.91 C 2.164 -14.080 14.098 1.00 93.91 C 3.342 -14.735 13.361 1.00 93.91 C 4.425 -14.797 13.990 1.00 93.91 O 3.195 -15.115 12.173 1.00 93.91 O1- 0.120 -10.984 13.366 1.00 93.43 N 0.396 -9.553 13.582 1.00 93.43 C -0.667 -8.911 14.481 1.00 93.43 C -0.325 -8.123 15.363 1.00 93.43 O 0.510 -8.812 12.230 1.00 93.43 C 1.785 -9.273 11.490 1.00 93.43 C 0.527 -7.280 12.408 1.00 93.43 C 1.893 -8.718 10.067 1.00 93.43 C -1.943 -9.230 14.263 1.00 92.73 N -3.052 -8.727 15.075 1.00 92.73 C -2.908 -9.141 16.550 1.00 92.73 C -3.084 -8.317 17.445 1.00 92.73 O -4.368 -9.227 14.463 1.00 92.73 C -5.609 -8.771 15.198 1.00 92.73 C -6.099 -9.529 16.279 1.00 92.73 C -6.272 -7.593 14.805 1.00 92.73 C -7.241 -9.102 16.981 1.00 92.73 C -7.425 -7.176 15.492 1.00 92.73 C -7.902 -7.919 16.587 1.00 92.73 C -9.007 -7.503 17.258 1.00 92.73 O -2.526 -10.393 16.814 1.00 90.41 N -2.277 -10.914 18.163 1.00 90.41 C -1.044 -10.273 18.818 1.00 90.41 C -1.082 -9.940 20.001 1.00 90.41 O -2.118 -12.443 18.102 1.00 90.41 C -3.454 -13.161 17.845 1.00 90.41 C -3.307 -14.678 17.623 1.00 90.41 C -4.318 -15.292 17.206 1.00 90.41 O -2.215 -15.230 17.892 1.00 90.41 O1- 0.027 -10.044 18.050 1.00 88.22 N 1.269 -9.428 18.536 1.00 88.22 C 1.145 -7.926 18.835 1.00 88.22 C 1.965 -7.384 19.570 1.00 88.22 O 2.379 -9.644 17.494 1.00 88.22 C 2.893 -11.091 17.465 1.00 88.22 C 3.866 -11.364 16.318 1.00 88.22 C 4.256 -12.610 16.146 1.00 88.22 N 4.297 -10.484 15.582 1.00 88.22 O 0.155 -7.230 18.272 1.00 82.37 N 0.065 -5.761 18.329 1.00 82.37 C -0.581 -5.211 19.616 1.00 82.37 C -1.081 -4.088 19.613 1.00 82.37 O -0.584 -5.217 17.050 1.00 82.37 C 0.206 -5.578 15.929 1.00 82.37 O -0.594 -5.983 20.714 1.00 74.75 N -1.184 -5.627 22.024 1.00 74.75 C -2.607 -5.033 21.935 1.00 74.75 C -3.045 -4.212 22.750 1.00 74.75 O -0.215 -4.768 22.863 1.00 74.75 C 0.925 -5.561 23.508 1.00 74.75 C 0.711 -6.755 23.818 1.00 74.75 O 1.963 -4.922 23.790 1.00 74.75 O1- -3.379 -5.475 20.942 1.00 74.76 N -4.707 -4.944 20.644 1.00 74.76 C -5.712 -5.128 21.792 1.00 74.76 C -6.655 -4.345 21.943 1.00 74.76 O -5.181 -5.621 19.356 1.00 74.76 C -4.172 -5.158 17.932 1.00 74.76 S -5.476 -6.124 22.649 1.00 59.06 N -6.228 -6.369 23.882 1.00 59.06 C -6.099 -5.218 24.890 1.00 59.06 C -7.090 -4.841 25.520 1.00 59.06 O -5.735 -7.682 24.502 1.00 59.06 C -4.331 -7.630 24.670 1.00 59.06 O -4.920 -4.603 24.999 1.00 58.34 N -4.676 -3.463 25.888 1.00 58.34 C -5.384 -2.206 25.376 1.00 58.34 C -6.060 -1.514 26.139 1.00 58.34 O -3.167 -3.236 26.039 1.00 58.34 C -2.588 -4.368 26.660 1.00 58.34 O -5.327 -1.952 24.065 1.00 55.66 N -5.940 -0.777 23.429 1.00 55.66 C -7.478 -0.781 23.524 1.00 55.66 C -8.095 0.263 23.756 1.00 55.66 O -5.470 -0.727 21.966 1.00 55.66 C -5.639 0.644 21.303 1.00 55.66 C -4.499 1.917 21.915 1.00 55.66 S -4.328 2.952 20.433 1.00 55.66 C -8.111 -1.955 23.402 1.00 53.12 N -9.567 -2.101 23.531 1.00 53.12 C -10.101 -1.744 24.924 1.00 53.12 C -11.187 -1.171 25.041 1.00 53.12 O -9.320 -2.017 25.974 1.00 46.68 N -9.686 -1.694 27.354 1.00 46.68 C -9.566 -0.192 27.648 1.00 46.68 C -10.476 0.380 28.252 1.00 46.68 O -8.844 -2.559 28.306 1.00 46.68 C -9.262 -4.020 28.286 1.00 46.68 C -8.356 -4.921 28.578 1.00 46.68 N -10.406 -4.369 28.032 1.00 46.68 O -8.515 0.473 27.151 1.00 52.08 N -8.375 1.927 27.289 1.00 52.08 C -9.495 2.682 26.563 1.00 52.08 C -10.121 3.563 27.154 1.00 52.08 O -6.992 2.383 26.803 1.00 52.08 C -5.888 2.106 27.804 1.00 52.08 C -5.820 2.860 28.992 1.00 52.08 C -4.935 1.101 27.559 1.00 52.08 C -4.812 2.599 29.939 1.00 52.08 C -3.939 0.820 28.512 1.00 52.08 C -3.874 1.570 29.703 1.00 52.08 C -2.905 1.305 30.616 1.00 52.08 O -9.821 2.293 25.326 1.00 52.53 N -10.872 2.957 24.547 1.00 52.53 C -12.260 2.781 25.181 1.00 52.53 C -13.017 3.744 25.276 1.00 52.53 O -10.838 2.448 23.098 1.00 52.53 C -11.255 3.482 22.067 1.00 52.53 C -12.586 3.555 21.611 1.00 52.53 C -10.291 4.373 21.556 1.00 52.53 C -12.944 4.503 20.631 1.00 52.53 C -10.647 5.330 20.585 1.00 52.53 C -11.977 5.394 20.117 1.00 52.53 C -12.330 6.329 19.195 1.00 52.53 O -12.584 1.582 25.693 1.00 50.32 N -13.832 1.366 26.443 1.00 50.32 C -13.912 2.241 27.689 1.00 50.32 C -14.958 2.834 27.908 1.00 50.32 O -14.010 -0.110 26.827 1.00 50.32 C -14.800 -0.874 25.760 1.00 50.32 C -15.031 -2.317 26.219 1.00 50.32 C -15.888 -3.066 25.197 1.00 50.32 C -16.068 -4.483 25.592 1.00 50.32 N1+ -12.827 2.344 28.461 1.00 52.69 N -12.812 3.129 29.701 1.00 52.69 C -12.986 4.637 29.472 1.00 52.69 C -13.654 5.295 30.265 1.00 52.69 O -11.540 2.824 30.500 1.00 52.69 C -10.368 3.341 29.895 1.00 52.69 O -12.451 5.173 28.367 1.00 48.82 N -12.501 6.604 28.052 1.00 48.82 C -13.867 7.068 27.523 1.00 48.82 C -14.271 8.188 27.801 1.00 48.82 O -11.380 6.920 27.051 1.00 48.82 C -11.124 8.404 26.861 1.00 48.82 C -11.732 9.106 25.803 1.00 48.82 C -10.288 9.089 27.763 1.00 48.82 C -11.496 10.484 25.644 1.00 48.82 C -10.052 10.466 27.604 1.00 48.82 C -10.655 11.163 26.543 1.00 48.82 C -14.593 6.218 26.787 1.00 56.54 N -15.932 6.541 26.264 1.00 56.54 C -17.085 6.073 27.172 1.00 56.54 C -18.250 6.281 26.836 1.00 56.54 O -16.067 6.007 24.829 1.00 56.54 C -15.298 6.816 23.802 1.00 56.54 C -15.854 7.999 23.281 1.00 56.54 C -14.016 6.416 23.388 1.00 56.54 C -15.141 8.764 22.340 1.00 56.54 C -13.290 7.197 22.477 1.00 56.54 C -13.857 8.361 21.934 1.00 56.54 C -16.779 5.422 28.300 1.00 53.75 N -17.749 5.068 29.349 1.00 53.75 C -17.794 6.061 30.523 1.00 53.75 C -18.509 5.804 31.491 1.00 53.75 O -17.501 3.640 29.850 1.00 53.75 C -16.230 3.493 30.462 1.00 53.75 O -17.019 7.149 30.455 1.00 42.49 N -17.077 8.325 31.339 1.00 42.49 C -17.736 9.479 30.592 1.00 42.49 C -18.446 10.260 31.263 1.00 42.49 O -15.661 8.729 31.778 1.00 42.49 C -15.091 7.784 32.835 1.00 42.49 C -13.345 8.087 33.228 1.00 42.49 S -13.153 6.954 34.624 1.00 42.49 C -17.497 9.535 29.365 1.00 42.49 O1- id="glmol01_rep" style="display: none;"> 734,745,751,762,1312,1321,1329,1339,1346,1401,1409,1414,1425,1432,1451,1455,1464,1471,1482,1490 487,503,512,518,524,535,544,556,564,569,577,585,596,600,604,610,616,624,635,647,659,666,808,819,826,834,843,851,858,866,870,878,890,897,909,918,924,932,946,957,966,973,982,991,1049,1056,1064,1070,1078,1087,1095,1104,1112,1120,1131,1139,1148,1156,1163,1172,1177,1182,1194,1239,1247,1253,1261,1501,1507,1513,1521,1529,1536,1544,1563,1571,1579,1583,1591,1596,1603,1610,1618,1623,1633,1642,1653,1658,1668,1677,1685,1701,1711,1718,1723,1732,1740,1748,1754,1763,1768,1775,1783,1795,1801,1809,1817,1821,1829,1836,1844,1856,1863,1870,1941,1949,1957,1961,1972,1980,2017,2028,2037,2045,2054,2061,2070,2075,2083,2095,2103,2107,2115,2123,2131,2139,2145,2156,2187,2194,2203,2212,2218,2226,2235,2242,2256,2265,2276,2284,2289,2297,2308,2317,2326,2335,2343,2351,2362,2400,2409,2420,2428,2434,2469,2476,2487,2498,2506,2515,2523,2531,2537,2546,2560,2568,2575,2584,2589,2597,2606,2614,2626,2635,2644,2658,2664,2670,2676,2684,2688,2696,2708,2720,2729,2735,2746,2757 95.059,-73.012,73.012,0.450,20.000,-1.000,-0.000,0.000,0.000,-1.000,0.000,0.000,0.000,1.000 id="glmol01_viewbox" style="left: 30%; z-index:1;"> style="overflow: auto;"> type="radio" value="true" checked>Use imported representation
style="border: 2px solid white; position: absolute; color: white; left: 10%; top: 10%; padding: 5px; z-index:101;"> from server... It may take a while.

If you believe something went wrong, please make sure PDB ID is correct.
Please also make sure that WebGL is enabled in your browser.

Internet Explorer: sorry. IE doesn't support WebGL.
Firefox (version 4 or later): try force enable WebGL.
Chrome: try force enable WebGL.
Safari: enable WebGL.

References

No sources available.